[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol

C20H29N3O — CID 70719084

IUPAC[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2cncn2Cc2ccccc2)C1
InChIInChI=1S/C20H29N3O/c1-2-9-20(16-24)10-6-11-22(15-20)14-19-12-21-17-23(19)13-18-7-4-3-5-8-18/h3-5,7-8,12,17,24H,2,6,9-11,13-16H2,1H3
InChIKeyOTXUQMMSOPYKHL-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.31
Rot. Bonds7

About [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol

[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 70719084) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID70719084
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2cncn2Cc2ccccc2)C1
InChIInChI=1S/C20H29N3O/c1-2-9-20(16-24)10-6-11-22(15-20)14-19-12-21-17-23(19)13-18-7-4-3-5-8-18/h3-5,7-8,12,17,24H,2,6,9-11,13-16H2,1H3
InChIKeyOTXUQMMSOPYKHL-UHFFFAOYSA-N
XLogP3.31
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 66134971
2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843018
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981
[(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
CID 97122545
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
CID 70759213
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
1-benzyl-5-butylimidazole
CID 10059100
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615

Frequently Asked Questions

What is the IUPAC name of [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol (CID 70719084) is [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol is CCCC1(CO)CCCN(Cc2cncn2Cc2ccccc2)C1.
What is the InChIKey of [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is OTXUQMMSOPYKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-9-20(16-24)10-6-11-22(15-20)14-19-12-21-17-23(19)13-18-7-4-3-5-8-18/h3-5,7-8,12,17,24H,2,6,9-11,13-16H2,1H3.
What are the key properties of [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol?
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 327.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 70719084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).