2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride

C20H24Cl2N2O2 — CID 119321789

IUPAC2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O2.ClH/c21-17-8-6-15(7-9-17)19(24)16-10-12-23(13-11-16)20(25)18(22)14-4-2-1-3-5-14;/h1-9,16,18-19,24H,10-13,22H2;1H
InChIKeyXFWAPIYQWDZRGM-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.73
Rot. Bonds4

About 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride

2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119321789) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119321789
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O2.ClH/c21-17-8-6-15(7-9-17)19(24)16-10-12-23(13-11-16)20(25)18(22)14-4-2-1-3-5-14;/h1-9,16,18-19,24H,10-13,22H2;1H
InChIKeyXFWAPIYQWDZRGM-UHFFFAOYSA-N
XLogP3.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;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)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119321787
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119321789) is 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride is Cl.NC(C(=O)N1CCC(C(O)c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is XFWAPIYQWDZRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2.ClH/c21-17-8-6-15(7-9-17)19(24)16-10-12-23(13-11-16)20(25)18(22)14-4-2-1-3-5-14;/h1-9,16,18-19,24H,10-13,22H2;1H.
What are the key properties of 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride?
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 395.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119321789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).