(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone

C18H18ClNO2 — CID 15290353

IUPAC(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H18ClNO2/c19-16-5-1-15(2-6-16)18(22)20-11-9-14(10-12-20)13-3-7-17(21)8-4-13/h1-8,14,21H,9-12H2
InChIKeyPDUKQBVYROLOQN-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.07
Rot. Bonds2

About (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (PubChem CID 15290353) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
PubChem CID15290353
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H18ClNO2/c19-16-5-1-15(2-6-16)18(22)20-11-9-14(10-12-20)13-3-7-17(21)8-4-13/h1-8,14,21H,9-12H2
InChIKeyPDUKQBVYROLOQN-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949659
(4,5-dichloro-1H-pyrrol-2-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 78839633
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
9H-fluoren-2-yl-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 78868858
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (CID 15290353) is (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The InChIKey is PDUKQBVYROLOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-16-5-1-15(2-6-16)18(22)20-11-9-14(10-12-20)13-3-7-17(21)8-4-13/h1-8,14,21H,9-12H2.
What are the key properties of (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone has a molecular weight of 315.80 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 15290353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).