N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine

C18H32N4 — CID 97228940

IUPACN-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
SMILESC[C@@H]1CCC[C@@H](N2CCC(NCCCn3ccnc3)CC2)C1
InChIInChI=1S/C18H32N4/c1-16-4-2-5-18(14-16)22-11-6-17(7-12-22)20-8-3-10-21-13-9-19-15-21/h9,13,15-18,20H,2-8,10-12,14H2,1H3/t16-,18-/m1/s1
InChIKeyUCXAVMJGMOOOLO-SJLPKXTDSA-N
MW304.48 g/mol
LogP2.91
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine

N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine (PubChem CID 97228940) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
PubChem CID97228940
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
SMILESC[C@@H]1CCC[C@@H](N2CCC(NCCCn3ccnc3)CC2)C1
InChIInChI=1S/C18H32N4/c1-16-4-2-5-18(14-16)22-11-6-17(7-12-22)20-8-3-10-21-13-9-19-15-21/h9,13,15-18,20H,2-8,10-12,14H2,1H3/t16-,18-/m1/s1
InChIKeyUCXAVMJGMOOOLO-SJLPKXTDSA-N
XLogP2.91
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228938
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758617

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine (CID 97228940) is N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine is C[C@@H]1CCC[C@@H](N2CCC(NCCCn3ccnc3)CC2)C1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine?
The InChIKey is UCXAVMJGMOOOLO-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H32N4/c1-16-4-2-5-18(14-16)22-11-6-17(7-12-22)20-8-3-10-21-13-9-19-15-21/h9,13,15-18,20H,2-8,10-12,14H2,1H3/t16-,18-/m1/s1.
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine?
N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine has a molecular weight of 304.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine is sourced from PubChem (CID 97228940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).