3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride

C21H27ClFN3O2 — CID 162676349

IUPAC3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)Nc2cccc(F)c2)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C21H26FN3O2.ClH/c1-24(2)14-17-15-25(20(26)23-19-10-6-9-18(22)13-19)12-11-21(17,27)16-7-4-3-5-8-16;/h3-10,13,17,27H,11-12,14-15H2,1-2H3,(H,23,26);1H
InChIKeyGLGQUVKHTFZPLF-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.55
Rot. Bonds4

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

3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 162676349) has the molecular formula C21H27ClFN3O2 and a molecular weight of 407.92 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
PubChem CID162676349
Molecular FormulaC21H27ClFN3O2
Molecular Weight407.92 g/mol
Exact Mass407.18
IUPAC Name3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCN(C)CC1CN(C(=O)Nc2cccc(F)c2)CCC1(O)c1ccccc1.Cl
InChIInChI=1S/C21H26FN3O2.ClH/c1-24(2)14-17-15-25(20(26)23-19-10-6-9-18(22)13-19)12-11-21(17,27)16-7-4-3-5-8-16;/h3-10,13,17,27H,11-12,14-15H2,1-2H3,(H,23,26);1H
InChIKeyGLGQUVKHTFZPLF-UHFFFAOYSA-N
XLogP3.55
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
CID 162655156
3-[(dimethylamino)methyl]-4-hydroxy-4-(3-hydroxyphenyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride (CID 162676349) is 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride is CN(C)CC1CN(C(=O)Nc2cccc(F)c2)CCC1(O)c1ccccc1.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is GLGQUVKHTFZPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2.ClH/c1-24(2)14-17-15-25(20(26)23-19-10-6-9-18(22)13-19)12-11-21(17,27)16-7-4-3-5-8-16;/h3-10,13,17,27H,11-12,14-15H2,1-2H3,(H,23,26);1H.
What are the key properties of 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride?
3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-(3-fluorophenyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 162676349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).