(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C15H22ClFN2O2 — CID 120621886

IUPAC(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC(O)c2ccccc2F)CCN1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10-8-11(6-7-17-10)15(20)18-9-14(19)12-4-2-3-5-13(12)16;/h2-5,10-11,14,17,19H,6-9H2,1H3,(H,18,20);1H/t10-,11-,14?;/m0./s1
InChIKeyVHSBSDQSQNYISD-CTLGMTOOSA-N
MW316.80 g/mol
LogP1.79
Rot. Bonds4

About (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120621886) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120621886
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC Name(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC(O)c2ccccc2F)CCN1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10-8-11(6-7-17-10)15(20)18-9-14(19)12-4-2-3-5-13(12)16;/h2-5,10-11,14,17,19H,6-9H2,1H3,(H,18,20);1H/t10-,11-,14?;/m0./s1
InChIKeyVHSBSDQSQNYISD-CTLGMTOOSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride 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

(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641315
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120623267
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636390
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
(2S,4S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631303
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120636391
(3R)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 124588211

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120621886) is (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCC(O)c2ccccc2F)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VHSBSDQSQNYISD-CTLGMTOOSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-10-8-11(6-7-17-10)15(20)18-9-14(19)12-4-2-3-5-13(12)16;/h2-5,10-11,14,17,19H,6-9H2,1H3,(H,18,20);1H/t10-,11-,14?;/m0./s1.
What are the key properties of (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).