[3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone

C20H23NO2 — CID 146542038

IUPAC[3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone
SMILESCc1ccc([C@H](O)C2CCCN(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)19(22)18-8-5-13-21(14-18)20(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,18-19,22H,5,8,13-14H2,1H3/t18?,19-/m0/s1
InChIKeyYYDTZLYCIIZVRX-GGYWPGCISA-N
MW309.41 g/mol
LogP3.58
Rot. Bonds3

About [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone

[3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 146542038) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone
PubChem CID146542038
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone
SMILESCc1ccc([C@H](O)C2CCCN(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)19(22)18-8-5-13-21(14-18)20(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,18-19,22H,5,8,13-14H2,1H3/t18?,19-/m0/s1
InChIKeyYYDTZLYCIIZVRX-GGYWPGCISA-N
XLogP3.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(S)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 160998375
(3-chloro-4-methylphenyl)-[3-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 157456010
[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 16671625
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
CID 83855984
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 126469323
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173

Frequently Asked Questions

What is the IUPAC name of [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone (CID 146542038) is [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone is Cc1ccc([C@H](O)C2CCCN(C(=O)c3ccccc3)C2)cc1.
What is the InChIKey of [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is YYDTZLYCIIZVRX-GGYWPGCISA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-9-11-16(12-10-15)19(22)18-8-5-13-21(14-18)20(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,18-19,22H,5,8,13-14H2,1H3/t18?,19-/m0/s1.
What are the key properties of [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone?
[3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 309.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 146542038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).