2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol

C15H21N3O — CID 135304460

IUPAC2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol
SMILESCCCN1CCCC(O)C1n1cnc2ccccc21
InChIInChI=1S/C15H21N3O/c1-2-9-17-10-5-8-14(19)15(17)18-11-16-12-6-3-4-7-13(12)18/h3-4,6-7,11,14-15,19H,2,5,8-10H2,1H3
InChIKeyPICVWZZXVNLDOR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.40
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol

2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol (PubChem CID 135304460) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol
PubChem CID135304460
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol
SMILESCCCN1CCCC(O)C1n1cnc2ccccc21
InChIInChI=1S/C15H21N3O/c1-2-9-17-10-5-8-14(19)15(17)18-11-16-12-6-3-4-7-13(12)18/h3-4,6-7,11,14-15,19H,2,5,8-10H2,1H3
InChIKeyPICVWZZXVNLDOR-UHFFFAOYSA-N
XLogP2.40
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-1-propylpiperidin-3-ol
CID 135304215
4-(benzimidazol-1-yl)-N-propylpiperidine-1-carbothioamide
CID 3219909
1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole
CID 141346102
(3aR,5R,6R,7aS)-6-(benzimidazol-1-yl)-2-(cyclobutylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172663488
1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 126836065
3-(benzimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79644048
(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95157495
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
1-methylbenzimidazole;propane
CID 91130597
[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79647543
1-[2-(benzimidazol-1-yl)cyclobutyl]-N-methylmethanamine
CID 81005426
2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
CID 71215497

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol?
The IUPAC name of 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol (CID 135304460) is 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol is CCCN1CCCC(O)C1n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol?
The InChIKey is PICVWZZXVNLDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-9-17-10-5-8-14(19)15(17)18-11-16-12-6-3-4-7-13(12)18/h3-4,6-7,11,14-15,19H,2,5,8-10H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol?
2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol has a molecular weight of 259.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol is sourced from PubChem (CID 135304460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).