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

C16H28N4 — CID 45235477

IUPAC1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine
SMILESc1c[nH]c(CNC2CCCN(CC3CCCCC3)C2)n1
InChIInChI=1S/C16H28N4/c1-2-5-14(6-3-1)12-20-10-4-7-15(13-20)19-11-16-17-8-9-18-16/h8-9,14-15,19H,1-7,10-13H2,(H,17,18)
InChIKeyLXQYIIZUSFFAKH-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.54
Rot. Bonds5

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

1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine (PubChem CID 45235477) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine
PubChem CID45235477
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine
SMILESc1c[nH]c(CNC2CCCN(CC3CCCCC3)C2)n1
InChIInChI=1S/C16H28N4/c1-2-5-14(6-3-1)12-20-10-4-7-15(13-20)19-11-16-17-8-9-18-16/h8-9,14-15,19H,1-7,10-13H2,(H,17,18)
InChIKeyLXQYIIZUSFFAKH-UHFFFAOYSA-N
XLogP2.54
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine (CID 45235477) is 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine is c1c[nH]c(CNC2CCCN(CC3CCCCC3)C2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine?
The InChIKey is LXQYIIZUSFFAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-5-14(6-3-1)12-20-10-4-7-15(13-20)19-11-16-17-8-9-18-16/h8-9,14-15,19H,1-7,10-13H2,(H,17,18).
What are the key properties of 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine?
1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(1H-imidazol-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 45235477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).