[2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol

C21H24N2O — CID 102581039

IUPAC[2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol
SMILESOCn1c(-c2ccccc2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C21H24N2O/c24-16-23-20-12-6-5-11-18(20)19(15-22-13-7-2-8-14-22)21(23)17-9-3-1-4-10-17/h1,3-6,9-12,24H,2,7-8,13-16H2
InChIKeyPOAVRVFMBQJCEX-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.24
Rot. Bonds4

About [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol

[2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol (PubChem CID 102581039) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol.

Molecular Properties

Compound Name[2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol
PubChem CID102581039
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name[2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol
SMILESOCn1c(-c2ccccc2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C21H24N2O/c24-16-23-20-12-6-5-11-18(20)19(15-22-13-7-2-8-14-22)21(23)17-9-3-1-4-10-17/h1,3-6,9-12,24H,2,7-8,13-16H2
InChIKeyPOAVRVFMBQJCEX-UHFFFAOYSA-N
XLogP4.24
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(diethylaminomethyl)-2-phenylindol-1-yl]methanol
CID 102581043
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenyl-1-[(4-phenylphenyl)methyl]indole;2,2,2-trifluoroacetic acid
CID 69434952
3,5-diphenyl-2-(piperidin-1-ylmethyl)phenol
CID 140569430
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole;2,2,2-trifluoroacetic acid
CID 87832532
2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 69076815
2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 69075774
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(3-methylphenyl)methyl]-2-phenylindole;2,2,2-trifluoroacetic acid
CID 69437187
N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide
CID 69078033
1-(5-bromopentyl)-3-[[1-(5-bromopentyl)-2-phenylindol-3-yl]methyl]-2-phenylindole
CID 71428014
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-benzylazepane
CID 10954328
2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 16622190

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol?
The IUPAC name of [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol (CID 102581039) is [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol.
What is the SMILES notation for [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol?
The canonical SMILES for [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol is OCn1c(-c2ccccc2)c(CN2CCCCC2)c2ccccc21.
What is the InChIKey of [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol?
The InChIKey is POAVRVFMBQJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-16-23-20-12-6-5-11-18(20)19(15-22-13-7-2-8-14-22)21(23)17-9-3-1-4-10-17/h1,3-6,9-12,24H,2,7-8,13-16H2.
What are the key properties of [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol?
[2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol has a molecular weight of 320.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol is sourced from PubChem (CID 102581039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).