N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine

C17H24N4 — CID 115615497

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H24N4/c1-14-12-20(2)9-7-17(14)19-11-15-3-5-16(6-4-15)21-10-8-18-13-21/h3-6,8,10,13-14,17,19H,7,9,11-12H2,1-2H3
InChIKeyHZZXJSMVLJFHTG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.30
Rot. Bonds4

About N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine

N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115615497) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115615497
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H24N4/c1-14-12-20(2)9-7-17(14)19-11-15-3-5-16(6-4-15)21-10-8-18-13-21/h3-6,8,10,13-14,17,19H,7,9,11-12H2,1-2H3
InChIKeyHZZXJSMVLJFHTG-UHFFFAOYSA-N
XLogP2.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 62318506
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-[(4-imidazol-1-ylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222635
1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 115615367
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587926
N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51086166
2-[4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 115889357
N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113260030
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile
CID 114503453
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215873
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine (CID 115615497) is N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is HZZXJSMVLJFHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-12-20(2)9-7-17(14)19-11-15-3-5-16(6-4-15)21-10-8-18-13-21/h3-6,8,10,13-14,17,19H,7,9,11-12H2,1-2H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine?
N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115615497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).