N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine

C17H26N4 — CID 63241392

IUPACN-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H26N4/c1-13(2)18-10-14-6-5-9-21(11-14)12-17-19-15-7-3-4-8-16(15)20-17/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyICRZAAOYSTUULX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.77
Rot. Bonds5

About N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63241392) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID63241392
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H26N4/c1-13(2)18-10-14-6-5-9-21(11-14)12-17-19-15-7-3-4-8-16(15)20-17/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyICRZAAOYSTUULX-UHFFFAOYSA-N
XLogP2.77
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 95725288
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241043
1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45197583
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine (CID 63241392) is N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is ICRZAAOYSTUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)18-10-14-6-5-9-21(11-14)12-17-19-15-7-3-4-8-16(15)20-17/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63241392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).