tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate

C17H25NO3 — CID 97114215

IUPACtert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](O)(Cc2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-11-7-10-17(20,13-18)12-14-8-5-4-6-9-14/h4-6,8-9,20H,7,10-13H2,1-3H3/t17-/m1/s1
InChIKeyINDMQUKKKYXEIW-QGZVFWFLSA-N
MW291.39 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate

tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate (PubChem CID 97114215) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
PubChem CID97114215
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](O)(Cc2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-11-7-10-17(20,13-18)12-14-8-5-4-6-9-14/h4-6,8-9,20H,7,10-13H2,1-3H3/t17-/m1/s1
InChIKeyINDMQUKKKYXEIW-QGZVFWFLSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
1-benzylcyclopentan-1-ol;tert-butyl 3-benzyl-3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-oxopyrrolidine-1-carboxylate;hydrochloride
CID 162247368
tert-butyl 3-acetyl-3-benzylpiperidine-1-carboxylate
CID 20592687
tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
CID 71757706
tert-butyl (3S)-3-benzyl-3-[2-(ethylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 10808505
tert-butyl (3S)-3-benzyl-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 11792947
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
(3S)-3-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(1S)-1-phenylethanamine
CID 118704803
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate (CID 97114215) is tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@](O)(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate?
The InChIKey is INDMQUKKKYXEIW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-11-7-10-17(20,13-18)12-14-8-5-4-6-9-14/h4-6,8-9,20H,7,10-13H2,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate?
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 97114215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).