[1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol

C24H31NO — CID 25449340

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C24H31NO/c26-19-24(12-6-9-20-7-2-1-3-8-20)13-15-25(16-14-24)23-17-21-10-4-5-11-22(21)18-23/h1-5,7-8,10-11,23,26H,6,9,12-19H2
InChIKeyWYVZAELABXEAFX-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.25
Rot. Bonds6

About [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol

[1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol (PubChem CID 25449340) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
PubChem CID25449340
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C24H31NO/c26-19-24(12-6-9-20-7-2-1-3-8-20)13-15-25(16-14-24)23-17-21-10-4-5-11-22(21)18-23/h1-5,7-8,10-11,23,26H,6,9,12-19H2
InChIKeyWYVZAELABXEAFX-UHFFFAOYSA-N
XLogP4.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+/-)-threo-N-(4-Phenylbutyl)ritalinol
CID 52941366
(+/-)-threo-N-(3-Phenylpropyl)ritalinol
CID 52945256
(3-Benzyl-1-cyclopentylpiperidin-3-yl)methanol
CID 16188206
[1-Cyclobutyl-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 23723713
(+/-)-threo-N-(2-Phenylethyl)ritalinol
CID 52944989
trans-2-(1''H-spiro[indene-1,4''-piperidin]-1''-yl)cyclohexanol
CID 10039489
trans-2-(2,3-dihydro-1''H-spiro[indene-1,4''-piperidin]-1''-yl)cyclohexanol
CID 10334147
{4-(2-phenylethyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}methanol
CID 23723787
[4-Benzyl-1-(3-cyclopentylpropyl)piperidin-4-yl]methanol
CID 16190700
1-Benzyl-4-phenylpiperidine-4-methanol
CID 96793
2-(1-Methylpiperidin-2-yl)-2,2-diphenylethanol;hydrochloride
CID 108485
[4-Phenyl-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 12334339

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol (CID 25449340) is [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol is OCC1(CCCc2ccccc2)CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The InChIKey is WYVZAELABXEAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c26-19-24(12-6-9-20-7-2-1-3-8-20)13-15-25(16-14-24)23-17-21-10-4-5-11-22(21)18-23/h1-5,7-8,10-11,23,26H,6,9,12-19H2.
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol?
[1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol has a molecular weight of 349.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 25449340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).