1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine

C20H30N4 — CID 46986929

IUPAC1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine
SMILESCCCC(C)NC1CCN(c2ccc(-n3ccnc3C)cc2)CC1
InChIInChI=1S/C20H30N4/c1-4-5-16(2)22-18-10-13-23(14-11-18)19-6-8-20(9-7-19)24-15-12-21-17(24)3/h6-9,12,15-16,18,22H,4-5,10-11,13-14H2,1-3H3
InChIKeyXRWVBKZDAYQPOD-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.93
Rot. Bonds6

About 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine

1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine (PubChem CID 46986929) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine
PubChem CID46986929
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine
SMILESCCCC(C)NC1CCN(c2ccc(-n3ccnc3C)cc2)CC1
InChIInChI=1S/C20H30N4/c1-4-5-16(2)22-18-10-13-23(14-11-18)19-6-8-20(9-7-19)24-15-12-21-17(24)3/h6-9,12,15-16,18,22H,4-5,10-11,13-14H2,1-3H3
InChIKeyXRWVBKZDAYQPOD-UHFFFAOYSA-N
XLogP3.93
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-Phenylimidazole
CID 81595
4-(1H-imidazol-1-yl)aniline
CID 320165
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686
N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
CID 11370952
2-(2-(4-(Dimethylamino)phenyl)diazenyl)-1,3-dimethyl-1H-imidazolium chloride (1:1)
CID 166491
Basic Orange 31
CID 9881454
2-(1H-imidazol-1-yl)aniline
CID 320166
4-N,4-N-dimethyl-1-N-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 133107905
3-[3-(1H-imidazol-1-yl)propyl]-1-phenylthiourea
CID 2882201
1-(3-(1H-imidazol-1-yl)propyl)-3-(4-fluorophenyl)thiourea
CID 6539185
1-[4-(dimethylamino)phenyl]-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539186

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine (CID 46986929) is 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine is CCCC(C)NC1CCN(c2ccc(-n3ccnc3C)cc2)CC1.
What is the InChIKey of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine?
The InChIKey is XRWVBKZDAYQPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-4-5-16(2)22-18-10-13-23(14-11-18)19-6-8-20(9-7-19)24-15-12-21-17(24)3/h6-9,12,15-16,18,22H,4-5,10-11,13-14H2,1-3H3.
What are the key properties of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine?
1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine has a molecular weight of 326.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-pentan-2-ylpiperidin-4-amine is sourced from PubChem (CID 46986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).