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CAS 1188265-71-5 TERT-BUTYL 4-TERT-BUTYL-3-HYDROXYPIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 1188265-71-5

TERT-BUTYL 4-TERT-BUTYL-3-HYDROXYPIPERIDINE-1-CARBOXYLATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1188265-71-5
  • Purity/Analytical Methods: >99.0%
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1188265-71-5 / tert-butyl 4-tert-butyl-3-hydroxypiperidine-1-carboxylate

tert-Butyl 4-(tert-butyl)-3-hydroxypiperidine-1-carboxylate | TERT-BUTYL 4-TERT-BUTYL-3-HYDROXYPIPERIDINE-1-CARBOXYLATE | MFCD13152264

Standard CAS: 1188265-71-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188265-71-5
Multi CAS
Yes
Molecular Formula
C14H27NO3
Molecular Weight
257.370000
Exact Mass
257.199094
SMILES
CC(C)(C)C1CCN(CC1O)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H27NO3/c1-13(2,3)10-7-8-15(9-11(10)16)12(17)18-14(4,5)6/h10-11,16H,7-9H2,1-6H3
InChIKey
HXJRSIXMRPNDPP-UHFFFAOYSA-N
Synonyms
tert-Butyl 4-(tert-butyl)-3-hydroxypiperidine-1-carboxylate TERT-BUTYL 4-TERT-BUTYL-3-HYDROXYPIPERIDINE-1-CARBOXYLATE MFCD13152264 4-tert-Butyl-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester DTXSID70718867

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.38
TPSA
49.77

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.6
Consensus LogP
2.53
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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