N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride

C16H23ClN4 — CID 119913002

IUPACN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCN(Cc1ccn(-c2ccccc2)n1)C1CCNCC1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-19(15-7-10-17-11-8-15)13-14-9-12-20(18-14)16-5-3-2-4-6-16;/h2-6,9,12,15,17H,7-8,10-11,13H2,1H3;1H
InChIKeyPMHMEHRZCPUPMX-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride

N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119913002) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119913002
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC NameN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCN(Cc1ccn(-c2ccccc2)n1)C1CCNCC1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-19(15-7-10-17-11-8-15)13-14-9-12-20(18-14)16-5-3-2-4-6-16;/h2-6,9,12,15,17H,7-8,10-11,13H2,1H3;1H
InChIKeyPMHMEHRZCPUPMX-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride (CID 119913002) is N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride is CN(Cc1ccn(-c2ccccc2)n1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is PMHMEHRZCPUPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.ClH/c1-19(15-7-10-17-11-8-15)13-14-9-12-20(18-14)16-5-3-2-4-6-16;/h2-6,9,12,15,17H,7-8,10-11,13H2,1H3;1H.
What are the key properties of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-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-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119913002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).