benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate

C14H16N2O3 — CID 98124909

IUPACbenzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
SMILESN#C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H16N2O3/c15-10-14(18)7-4-8-16(11-14)13(17)19-9-12-5-2-1-3-6-12/h1-3,5-6,18H,4,7-9,11H2/t14-/m0/s1
InChIKeyPBMRPELQBJLFNH-AWEZNQCLSA-N
MW260.29 g/mol
LogP1.67
Rot. Bonds2

About benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate

benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate (PubChem CID 98124909) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
PubChem CID98124909
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namebenzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
SMILESN#C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H16N2O3/c15-10-14(18)7-4-8-16(11-14)13(17)19-9-12-5-2-1-3-6-12/h1-3,5-6,18H,4,7-9,11H2/t14-/m0/s1
InChIKeyPBMRPELQBJLFNH-AWEZNQCLSA-N
XLogP1.67
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

Analyze benzyl (3R)-3-cyano-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

2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate (CID 98124909) is benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate is N#C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate?
The InChIKey is PBMRPELQBJLFNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-10-14(18)7-4-8-16(11-14)13(17)19-9-12-5-2-1-3-6-12/h1-3,5-6,18H,4,7-9,11H2/t14-/m0/s1.
What are the key properties of benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate?
benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 98124909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).