3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline

C16H22N4 — CID 62655457

IUPAC3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline
SMILESCN1CCCC(CNc2cccc(-n3ccnc3)c2)C1
InChIInChI=1S/C16H22N4/c1-19-8-3-4-14(12-19)11-18-15-5-2-6-16(10-15)20-9-7-17-13-20/h2,5-7,9-10,13-14,18H,3-4,8,11-12H2,1H3
InChIKeyQSKNECBMBDGNHL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds4

About 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline

3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline (PubChem CID 62655457) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline
PubChem CID62655457
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline
SMILESCN1CCCC(CNc2cccc(-n3ccnc3)c2)C1
InChIInChI=1S/C16H22N4/c1-19-8-3-4-14(12-19)11-18-15-5-2-6-16(10-15)20-9-7-17-13-20/h2,5-7,9-10,13-14,18H,3-4,8,11-12H2,1H3
InChIKeyQSKNECBMBDGNHL-UHFFFAOYSA-N
XLogP2.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
CID 55100756
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
N-(4-ethylcyclohexyl)-3-imidazol-1-ylaniline
CID 43678323
N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692027
3-imidazol-1-yl-N-(4-propylcyclohexyl)aniline
CID 43678288
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
CID 81260551
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline?
The IUPAC name of 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline (CID 62655457) is 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline?
The canonical SMILES for 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline is CN1CCCC(CNc2cccc(-n3ccnc3)c2)C1.
What is the InChIKey of 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline?
The InChIKey is QSKNECBMBDGNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-8-3-4-14(12-19)11-18-15-5-2-6-16(10-15)20-9-7-17-13-20/h2,5-7,9-10,13-14,18H,3-4,8,11-12H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline?
3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline is sourced from PubChem (CID 62655457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).