N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride

C16H23ClN4 — CID 119919223

IUPACN-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2ccn(-c3ccccc3)n2)C1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-17-14-6-5-10-19(12-14)13-15-9-11-20(18-15)16-7-3-2-4-8-16;/h2-4,7-9,11,14,17H,5-6,10,12-13H2,1H3;1H
InChIKeyCWKGYLPLYQDBOP-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride

N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 119919223) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
PubChem CID119919223
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC NameN-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2ccn(-c3ccccc3)n2)C1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-17-14-6-5-10-19(12-14)13-15-9-11-20(18-15)16-7-3-2-4-8-16;/h2-4,7-9,11,14,17H,5-6,10,12-13H2,1H3;1H
InChIKeyCWKGYLPLYQDBOP-UHFFFAOYSA-N
XLogP2.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922019
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine
CID 120913079
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride (CID 119919223) is N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride is CNC1CCCN(Cc2ccn(-c3ccccc3)n2)C1.Cl.
What is the InChIKey of N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is CWKGYLPLYQDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.ClH/c1-17-14-6-5-10-19(12-14)13-15-9-11-20(18-15)16-7-3-2-4-8-16;/h2-4,7-9,11,14,17H,5-6,10,12-13H2,1H3;1H.
What are the key properties of N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride?
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119919223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).