1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone

C31H35NO2 — CID 18794526

IUPAC1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2O
InChIInChI=1S/C31H35NO2/c33-30(21-23-7-3-1-4-8-23)28-13-14-29-27(22-28)12-11-26(31(29)34)17-20-32-18-15-25(16-19-32)24-9-5-2-6-10-24/h1-10,13-14,22,25-26,31,34H,11-12,15-21H2
InChIKeyBKPYLNIKTMASOP-UHFFFAOYSA-N
MW453.63 g/mol
LogP5.98
Rot. Bonds7

About 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone

1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone (PubChem CID 18794526) has the molecular formula C31H35NO2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone
PubChem CID18794526
Molecular FormulaC31H35NO2
Molecular Weight453.63 g/mol
Exact Mass453.27
IUPAC Name1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2O
InChIInChI=1S/C31H35NO2/c33-30(21-23-7-3-1-4-8-23)28-13-14-29-27(22-28)12-11-26(31(29)34)17-20-32-18-15-25(16-19-32)24-9-5-2-6-10-24/h1-10,13-14,22,25-26,31,34H,11-12,15-21H2
InChIKeyBKPYLNIKTMASOP-UHFFFAOYSA-N
XLogP5.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 54418523
N-[[(5S,6S)-5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]benzamide
CID 54235925
6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120821
6-[3-(4-phenylpiperidin-1-yl)propanoyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 13120830
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[1-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carbonyl]carbamate
CID 57197066
N-[2-(3-fluorophenyl)ethyl]-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 18794666
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
6-(2,2-dihydroxyethyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 54169457
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone?
The IUPAC name of 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone (CID 18794526) is 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2O.
What is the InChIKey of 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone?
The InChIKey is BKPYLNIKTMASOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO2/c33-30(21-23-7-3-1-4-8-23)28-13-14-29-27(22-28)12-11-26(31(29)34)17-20-32-18-15-25(16-19-32)24-9-5-2-6-10-24/h1-10,13-14,22,25-26,31,34H,11-12,15-21H2.
What are the key properties of 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone?
1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone has a molecular weight of 453.63 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylethanone is sourced from PubChem (CID 18794526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).