2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine

C15H22N4 — CID 82167745

IUPAC2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
SMILESCC(CN)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H22N4/c1-11(10-16)19-8-6-12(7-9-19)15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyGRTPHEWJGDTBOF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.09
Rot. Bonds3

About 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine (PubChem CID 82167745) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
PubChem CID82167745
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
SMILESCC(CN)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H22N4/c1-11(10-16)19-8-6-12(7-9-19)15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyGRTPHEWJGDTBOF-UHFFFAOYSA-N
XLogP2.09
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[1-(1-propan-2-ylcycloheptyl)piperidin-4-yl]-1H-benzimidazole
CID 141019607
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one
CID 95585939
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine (CID 82167745) is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine is CC(CN)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine?
The InChIKey is GRTPHEWJGDTBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(10-16)19-8-6-12(7-9-19)15-17-13-4-2-3-5-14(13)18-15/h2-5,11-12H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine?
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 82167745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).