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

C16H23N5 — CID 120782235

IUPAC3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2cc(-c3cccnc3)n[nH]2)CCC1N
InChIInChI=1S/C16H23N5/c1-16(2)11-21(7-5-15(16)17)10-13-8-14(20-19-13)12-4-3-6-18-9-12/h3-4,6,8-9,15H,5,7,10-11,17H2,1-2H3,(H,19,20)
InChIKeyDLFNOILASNQVND-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.03
Rot. Bonds3

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

3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine (PubChem CID 120782235) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine
PubChem CID120782235
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2cc(-c3cccnc3)n[nH]2)CCC1N
InChIInChI=1S/C16H23N5/c1-16(2)11-21(7-5-15(16)17)10-13-8-14(20-19-13)12-4-3-6-18-9-12/h3-4,6,8-9,15H,5,7,10-11,17H2,1-2H3,(H,19,20)
InChIKeyDLFNOILASNQVND-UHFFFAOYSA-N
XLogP2.03
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781769
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 102550613
4-methyl-3-[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine
CID 166236703
3-[5-(methoxymethyl)-1H-pyrazol-3-yl]pyridine
CID 156512484
2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120906422
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
CID 117024926
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
CID 120774108

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine (CID 120782235) is 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine is CC1(C)CN(Cc2cc(-c3cccnc3)n[nH]2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is DLFNOILASNQVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2)11-21(7-5-15(16)17)10-13-8-14(20-19-13)12-4-3-6-18-9-12/h3-4,6,8-9,15H,5,7,10-11,17H2,1-2H3,(H,19,20).
What are the key properties of 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 120782235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).