3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride

C21H28ClN3O2 — CID 162655156

IUPAC3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)Nc2ccccc2)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-23(2)15-18-16-24(20(25)22-19-11-7-4-8-12-19)14-13-21(18,26)17-9-5-3-6-10-17;/h3-12,18,26H,13-16H2,1-2H3,(H,22,25);1H
InChIKeyYLJRWIZOOBCRDZ-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.41
Rot. Bonds4

About 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride

3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 162655156) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
PubChem CID162655156
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)Nc2ccccc2)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-23(2)15-18-16-24(20(25)22-19-11-7-4-8-12-19)14-13-21(18,26)17-9-5-3-6-10-17;/h3-12,18,26H,13-16H2,1-2H3,(H,22,25);1H
InChIKeyYLJRWIZOOBCRDZ-UHFFFAOYSA-N
XLogP3.41
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride (CID 162655156) is 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride is CN(C)CC1CN(C(=O)Nc2ccccc2)CCC1(O)c1ccccc1.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is YLJRWIZOOBCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-23(2)15-18-16-24(20(25)22-19-11-7-4-8-12-19)14-13-21(18,26)17-9-5-3-6-10-17;/h3-12,18,26H,13-16H2,1-2H3,(H,22,25);1H.
What are the key properties of 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride?
3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 162655156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).