1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine

C17H23ClN4 — CID 119109850

IUPAC1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCn1cncc1CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN4/c1-21-13-19-10-17(21)11-20-16-6-8-22(9-7-16)12-14-2-4-15(18)5-3-14/h2-5,10,13,16,20H,6-9,11-12H2,1H3
InChIKeyFRHWSMVOCBBIME-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.83
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine

1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 119109850) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
PubChem CID119109850
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCn1cncc1CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN4/c1-21-13-19-10-17(21)11-20-16-6-8-22(9-7-16)12-14-2-4-15(18)5-3-14/h2-5,10,13,16,20H,6-9,11-12H2,1H3
InChIKeyFRHWSMVOCBBIME-UHFFFAOYSA-N
XLogP2.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66147318
1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 63001589
1-(5-chloro-2-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 119110656
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
(7S,8R)-8-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]bicyclo[4.2.0]octan-7-amine
CID 110216289
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
CID 124546130
N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline
CID 66119111
1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
CID 119128794
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 63001280
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66142318
3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66117502
1-[(4-fluorophenyl)methyl]-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 122145629

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine (CID 119109850) is 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine is Cn1cncc1CNC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is FRHWSMVOCBBIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-21-13-19-10-17(21)11-20-16-6-8-22(9-7-16)12-14-2-4-15(18)5-3-14/h2-5,10,13,16,20H,6-9,11-12H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 318.85 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 119109850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).