2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

C24H31NO — CID 3048811

IUPAC2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESCC(C(O)c1ccc2c(c1)CCC2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H31NO/c1-18(24(26)23-11-10-21-8-5-9-22(21)17-23)25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-4,6-7,10-11,17-18,20,24,26H,5,8-9,12-16H2,1H3
InChIKeyAQHDPYSEZSYGOE-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.55
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (PubChem CID 3048811) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
PubChem CID3048811
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESCC(C(O)c1ccc2c(c1)CCC2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H31NO/c1-18(24(26)23-11-10-21-8-5-9-22(21)17-23)25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-4,6-7,10-11,17-18,20,24,26H,5,8-9,12-16H2,1H3
InChIKeyAQHDPYSEZSYGOE-UHFFFAOYSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 2809736
Benzenemethanol, 4-cyclopentyl-alpha-((diethylamino)methyl)-, hydrochloride
CID 3070069
Butidrine
CID 15177
2-(4-Benzylpiperidin-1-yl)-1-phenylethan-1-ol
CID 5189624
SN 1796
CID 213804
Trecadrine
CID 11740693
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 13322460
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 15917977
(1S,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 44335394
(1S,2S)-2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 44335474
1-Phenyl-2-(3-phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)-ethanol
CID 44350786
[3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl)-phenyl]-methanol
CID 44358969

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (CID 3048811) is 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is CC(C(O)c1ccc2c(c1)CCC2)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The InChIKey is AQHDPYSEZSYGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-18(24(26)23-11-10-21-8-5-9-22(21)17-23)25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-4,6-7,10-11,17-18,20,24,26H,5,8-9,12-16H2,1H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol has a molecular weight of 349.52 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is sourced from PubChem (CID 3048811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).