1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol

C28H27NO — CID 19424718

IUPAC1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol
SMILESOC1(c2ccc(-c3ccc4ccccc4c3)cc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C28H27NO/c30-28(17-6-18-29(21-28)20-22-7-2-1-3-8-22)27-15-13-24(14-16-27)26-12-11-23-9-4-5-10-25(23)19-26/h1-5,7-16,19,30H,6,17-18,20-21H2
InChIKeyNRYFQGNCTJABJQ-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.99
Rot. Bonds4

About 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol

1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol (PubChem CID 19424718) has the molecular formula C28H27NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol
PubChem CID19424718
Molecular FormulaC28H27NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol
SMILESOC1(c2ccc(-c3ccc4ccccc4c3)cc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C28H27NO/c30-28(17-6-18-29(21-28)20-22-7-2-1-3-8-22)27-15-13-24(14-16-27)26-12-11-23-9-4-5-10-25(23)19-26/h1-5,7-16,19,30H,6,17-18,20-21H2
InChIKeyNRYFQGNCTJABJQ-UHFFFAOYSA-N
XLogP5.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol
CID 155405702
1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol
CID 113341056
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
[9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone
CID 171347516
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
(3S)-1-benzyl-3-(4-phenylphenoxy)piperidine-3-carboxylic acid
CID 124584164

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol (CID 19424718) is 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol is OC1(c2ccc(-c3ccc4ccccc4c3)cc2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol?
The InChIKey is NRYFQGNCTJABJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO/c30-28(17-6-18-29(21-28)20-22-7-2-1-3-8-22)27-15-13-24(14-16-27)26-12-11-23-9-4-5-10-25(23)19-26/h1-5,7-16,19,30H,6,17-18,20-21H2.
What are the key properties of 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol?
1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol has a molecular weight of 393.53 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol is sourced from PubChem (CID 19424718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).