(3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone

C20H23ClN2O2 — CID 154938648

IUPAC(3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone
SMILESCN(C)C1(c2ccccc2)CCN(C(=O)c2cc(O)cc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O2/c1-22(2)20(16-6-4-3-5-7-16)8-10-23(11-9-20)19(25)15-12-17(21)14-18(24)13-15/h3-7,12-14,24H,8-11H2,1-2H3
InChIKeyMDMZCPMQSYTZQQ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.74
Rot. Bonds3

About (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone

(3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone (PubChem CID 154938648) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone
PubChem CID154938648
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone
SMILESCN(C)C1(c2ccccc2)CCN(C(=O)c2cc(O)cc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O2/c1-22(2)20(16-6-4-3-5-7-16)8-10-23(11-9-20)19(25)15-12-17(21)14-18(24)13-15/h3-7,12-14,24H,8-11H2,1-2H3
InChIKeyMDMZCPMQSYTZQQ-UHFFFAOYSA-N
XLogP3.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 110637923
1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 107702562
(3-chlorophenyl)-(4-morpholin-4-yl-4-phenylpiperidin-1-yl)methanone
CID 110409260
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528177
1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433248
(3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone
CID 84582248
2-[4-(dimethylamino)-4-phenylpiperidin-1-yl]phenol
CID 138687800
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone?
The IUPAC name of (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone (CID 154938648) is (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone is CN(C)C1(c2ccccc2)CCN(C(=O)c2cc(O)cc(Cl)c2)CC1.
What is the InChIKey of (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone?
The InChIKey is MDMZCPMQSYTZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-22(2)20(16-6-4-3-5-7-16)8-10-23(11-9-20)19(25)15-12-17(21)14-18(24)13-15/h3-7,12-14,24H,8-11H2,1-2H3.
What are the key properties of (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone?
(3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone has a molecular weight of 358.87 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-hydroxyphenyl)-[4-(dimethylamino)-4-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 154938648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).