N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine

C16H24N4 — CID 63637511

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
SMILESCCCN(Cc1nc2ccccc2[nH]1)C1CCCNC1
InChIInChI=1S/C16H24N4/c1-2-10-20(13-6-5-9-17-11-13)12-16-18-14-7-3-4-8-15(14)19-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3,(H,18,19)
InChIKeyZOGKDCODFLIQTR-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.53
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine

N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine (PubChem CID 63637511) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
PubChem CID63637511
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
SMILESCCCN(Cc1nc2ccccc2[nH]1)C1CCCNC1
InChIInChI=1S/C16H24N4/c1-2-10-20(13-6-5-9-17-11-13)12-16-18-14-7-3-4-8-15(14)19-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3,(H,18,19)
InChIKeyZOGKDCODFLIQTR-UHFFFAOYSA-N
XLogP2.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-(quinolin-2-ylmethyl)piperidin-3-amine
CID 63638032
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637335
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
CID 79240498
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231357
N-[(2-methylpyrazol-3-yl)methyl]-N-propylpiperidin-3-amine
CID 63637068
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride
CID 71641343

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine (CID 63637511) is N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine is CCCN(Cc1nc2ccccc2[nH]1)C1CCCNC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine?
The InChIKey is ZOGKDCODFLIQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-10-20(13-6-5-9-17-11-13)12-16-18-14-7-3-4-8-15(14)19-16/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine?
N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine has a molecular weight of 272.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 63637511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).