2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine

C17H24N4 — CID 83009169

IUPAC2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H24N4/c1-14-7-6-8-15(2)21(14)19-12-16-11-18-20(13-16)17-9-4-3-5-10-17/h3-5,9-11,13-15,19H,6-8,12H2,1-2H3
InChIKeyMHIGWPXOLSDSJR-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.14
Rot. Bonds4

About 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine

2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine (PubChem CID 83009169) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
PubChem CID83009169
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H24N4/c1-14-7-6-8-15(2)21(14)19-12-16-11-18-20(13-16)17-9-4-3-5-10-17/h3-5,9-11,13-15,19H,6-8,12H2,1-2H3
InChIKeyMHIGWPXOLSDSJR-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
CID 24896833
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 119108580
3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270639
1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60976579
(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 97062742
1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 71916254
N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444164
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine (CID 83009169) is 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine is CC1CCCC(C)N1NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine?
The InChIKey is MHIGWPXOLSDSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-7-6-8-15(2)21(14)19-12-16-11-18-20(13-16)17-9-4-3-5-10-17/h3-5,9-11,13-15,19H,6-8,12H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine?
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine has a molecular weight of 284.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 83009169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).