3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride

C17H25ClN4 — CID 120781769

IUPAC3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cc(-c3ccccc3)n[nH]2)CCC1N.Cl
InChIInChI=1S/C17H24N4.ClH/c1-17(2)12-21(9-8-16(17)18)11-14-10-15(20-19-14)13-6-4-3-5-7-13;/h3-7,10,16H,8-9,11-12,18H2,1-2H3,(H,19,20);1H
InChIKeyCVVFMSXBUUNLQY-UHFFFAOYSA-N
MW320.87 g/mol
LogP3.06
Rot. Bonds3

About 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120781769) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120781769
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cc(-c3ccccc3)n[nH]2)CCC1N.Cl
InChIInChI=1S/C17H24N4.ClH/c1-17(2)12-21(9-8-16(17)18)11-14-10-15(20-19-14)13-6-4-3-5-7-13;/h3-7,10,16H,8-9,11-12,18H2,1-2H3,(H,19,20);1H
InChIKeyCVVFMSXBUUNLQY-UHFFFAOYSA-N
XLogP3.06
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine
CID 120782235
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 102550613
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 120774254
1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781947
4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
CID 166369200
4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine
CID 166236703
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 120774118
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
CID 120774108
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782222

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride (CID 120781769) is 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride is CC1(C)CN(Cc2cc(-c3ccccc3)n[nH]2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is CVVFMSXBUUNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.ClH/c1-17(2)12-21(9-8-16(17)18)11-14-10-15(20-19-14)13-6-4-3-5-7-13;/h3-7,10,16H,8-9,11-12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).