(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone

C19H20ClNO2 — CID 45225429

IUPAC(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C19H20ClNO2/c20-17-8-6-15(7-9-17)19(23)16-4-2-10-21(13-16)12-14-3-1-5-18(22)11-14/h1,3,5-9,11,16,22H,2,4,10,12-13H2
InChIKeyRGFSVZWCNHXBLS-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.14
Rot. Bonds4

About (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone

(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 45225429) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID45225429
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C19H20ClNO2/c20-17-8-6-15(7-9-17)19(23)16-4-2-10-21(13-16)12-14-3-1-5-18(22)11-14/h1,3,5-9,11,16,22H,2,4,10,12-13H2
InChIKeyRGFSVZWCNHXBLS-UHFFFAOYSA-N
XLogP4.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 42198031
(4-chlorophenyl)-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723667
(4-chlorophenyl)-[(3R)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460911
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
CID 42346116
(4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25455195
2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 131903383
(Z)-1-(1-benzylpiperidin-3-yl)-3-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one
CID 10736952
(4-chlorophenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42361324
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45180520

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone (CID 45225429) is (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is RGFSVZWCNHXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-17-8-6-15(7-9-17)19(23)16-4-2-10-21(13-16)12-14-3-1-5-18(22)11-14/h1,3,5-9,11,16,22H,2,4,10,12-13H2.
What are the key properties of (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone?
(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 329.83 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45225429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).