(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine

C20H30N4 — CID 51635795

IUPAC(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
SMILESc1ccc2[nH]c(CN[C@@H]3CCCN(CC4CCCCC4)C3)nc2c1
InChIInChI=1S/C20H30N4/c1-2-7-16(8-3-1)14-24-12-6-9-17(15-24)21-13-20-22-18-10-4-5-11-19(18)23-20/h4-5,10-11,16-17,21H,1-3,6-9,12-15H2,(H,22,23)/t17-/m1/s1
InChIKeyZNGSIQHIVXLVOX-QGZVFWFLSA-N
MW326.49 g/mol
LogP3.70
Rot. Bonds5

About (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine

(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine (PubChem CID 51635795) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
PubChem CID51635795
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
SMILESc1ccc2[nH]c(CN[C@@H]3CCCN(CC4CCCCC4)C3)nc2c1
InChIInChI=1S/C20H30N4/c1-2-7-16(8-3-1)14-24-12-6-9-17(15-24)21-13-20-22-18-10-4-5-11-19(18)23-20/h4-5,10-11,16-17,21H,1-3,6-9,12-15H2,(H,22,23)/t17-/m1/s1
InChIKeyZNGSIQHIVXLVOX-QGZVFWFLSA-N
XLogP3.70
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine with MolForge

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 78911302
N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
CID 78946096
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
N-(1H-benzimidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 78954108
(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine
CID 30726777
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine?
The IUPAC name of (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine (CID 51635795) is (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine?
The canonical SMILES for (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine is c1ccc2[nH]c(CN[C@@H]3CCCN(CC4CCCCC4)C3)nc2c1.
What is the InChIKey of (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine?
The InChIKey is ZNGSIQHIVXLVOX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N4/c1-2-7-16(8-3-1)14-24-12-6-9-17(15-24)21-13-20-22-18-10-4-5-11-19(18)23-20/h4-5,10-11,16-17,21H,1-3,6-9,12-15H2,(H,22,23)/t17-/m1/s1.
What are the key properties of (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine?
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine has a molecular weight of 326.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine is sourced from PubChem (CID 51635795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).