[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

C23H29N3O — CID 42197449

IUPAC[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCn1c(CN2CCC[C@@](CO)(CCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C23H29N3O/c1-25-21-11-6-5-10-20(21)24-22(25)16-26-15-7-13-23(17-26,18-27)14-12-19-8-3-2-4-9-19/h2-6,8-11,27H,7,12-18H2,1H3/t23-/m1/s1
InChIKeyBNSAWVKLXIFSOZ-HSZRJFAPSA-N
MW363.51 g/mol
LogP3.78
Rot. Bonds6

About [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 42197449) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID42197449
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCn1c(CN2CCC[C@@](CO)(CCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C23H29N3O/c1-25-21-11-6-5-10-20(21)24-22(25)16-26-15-7-13-23(17-26,18-27)14-12-19-8-3-2-4-9-19/h2-6,8-11,27H,7,12-18H2,1H3/t23-/m1/s1
InChIKeyBNSAWVKLXIFSOZ-HSZRJFAPSA-N
XLogP3.78
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methylquinazolin-4-one
CID 126794965
[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 45203607
[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol
CID 45196346
[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 70736382
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25449478
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole
CID 54405466
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
4-[4-[[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 45175998
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 42197449) is [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is Cn1c(CN2CCC[C@@](CO)(CCc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is BNSAWVKLXIFSOZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29N3O/c1-25-21-11-6-5-10-20(21)24-22(25)16-26-15-7-13-23(17-26,18-27)14-12-19-8-3-2-4-9-19/h2-6,8-11,27H,7,12-18H2,1H3/t23-/m1/s1.
What are the key properties of [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 363.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 42197449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).