methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate

C14H19NO2 — CID 154717720

IUPACmethyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)N(c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11-8-9-12(14(16)17-2)10-15(11)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyKILHQTDLLVDKOM-NWDGAFQWSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds2

About methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate

methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate (PubChem CID 154717720) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate
PubChem CID154717720
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)N(c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11-8-9-12(14(16)17-2)10-15(11)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyKILHQTDLLVDKOM-NWDGAFQWSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-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

Methyl 4-oxo-1-phenylpiperidine-3-carboxylate
CID 343835
(3R)-1-[5-(N-phenylanilino)pentyl]piperidine-3-carboxylic acid;hydrochloride
CID 45262108
(3R)-1-[4-(N-phenylanilino)butyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265225
1-(2-Phenylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester
CID 2900775
methyl 5-[4-(N-propanoylanilino)piperidin-1-yl]pentanoate
CID 14873775
3-Piperidinecarboxylic acid, 1-(2-(1-cyclohexen-1-yl)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester
CID 3074351
3-Piperidinecarboxylic acid, 1-(3-butenyl)-4-((1-oxopropyl)phenylamino)-, methyl ester
CID 3074352
3-Piperidinecarboxylic acid, 1-(4-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-, methyl ester
CID 3074353
3-Piperidinecarboxylic acid, 1-(3,4-dimethyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-, methyl ester
CID 3074354
3-Piperidinecarboxylic acid, 1-(4-chloro-3-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-, methyl ester
CID 3074356
3-Piperidinecarboxylic acid, 1-(2-(methylphenylamino)ethyl)-4-((1-oxopropyl)phenylamino)-, methyl ester
CID 3074357
3-Piperidinecarboxylic acid, 1-(4-chloro-3-pentenyl)-4-((1-oxopropyl)phenylamino)-, methyl ester
CID 6448987

Frequently Asked Questions

What is the IUPAC name of methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate (CID 154717720) is methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate is COC(=O)[C@@H]1CC[C@H](C)N(c2ccccc2)C1.
What is the InChIKey of methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate?
The InChIKey is KILHQTDLLVDKOM-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-8-9-12(14(16)17-2)10-15(11)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate?
methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,6S)-6-methyl-1-phenylpiperidine-3-carboxylate is sourced from PubChem (CID 154717720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).