1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine

C12H22N4 — CID 79032377

IUPAC1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1[nH]ncc1CNC1CCN(C)C(C)C1
InChIInChI=1S/C12H22N4/c1-9-6-12(4-5-16(9)3)13-7-11-8-14-15-10(11)2/h8-9,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyDYVITEHHPNLRDR-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.29
Rot. Bonds3

About 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine

1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 79032377) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID79032377
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1[nH]ncc1CNC1CCN(C)C(C)C1
InChIInChI=1S/C12H22N4/c1-9-6-12(4-5-16(9)3)13-7-11-8-14-15-10(11)2/h8-9,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyDYVITEHHPNLRDR-UHFFFAOYSA-N
XLogP1.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 61210854
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073424
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
3-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 103081583
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
CID 80711280
1-(cyclohexylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
CID 56821604
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43663529
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine
CID 65079880
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703899
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64654324
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747484

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine (CID 79032377) is 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine is Cc1[nH]ncc1CNC1CCN(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is DYVITEHHPNLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-6-12(4-5-16(9)3)13-7-11-8-14-15-10(11)2/h8-9,12-13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 79032377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).