1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine

C15H22N4 — CID 61204225

IUPAC1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H22N4/c1-16-9-12-5-4-8-19(10-12)11-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyOTHINGJXQLWSRP-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.99
Rot. Bonds4

About 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine

1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 61204225) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
PubChem CID61204225
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H22N4/c1-16-9-12-5-4-8-19(10-12)11-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyOTHINGJXQLWSRP-UHFFFAOYSA-N
XLogP1.99
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
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
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914687
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
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
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine (CID 61204225) is 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is OTHINGJXQLWSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-16-9-12-5-4-8-19(10-12)11-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18).
What are the key properties of 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine?
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 258.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61204225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).