1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C13H24N4 — CID 106634107

IUPAC1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCC1CCCCN1
InChIInChI=1S/C13H24N4/c1-10-13(11(2)17(3)16-10)9-14-8-12-6-4-5-7-15-12/h12,14-15H,4-9H2,1-3H3
InChIKeyCQOUPESVTDWWNW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.27
Rot. Bonds4

About 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 106634107) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID106634107
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCC1CCCCN1
InChIInChI=1S/C13H24N4/c1-10-13(11(2)17(3)16-10)9-14-8-12-6-4-5-7-15-12/h12,14-15H,4-9H2,1-3H3
InChIKeyCQOUPESVTDWWNW-UHFFFAOYSA-N
XLogP1.27
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 79242493
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 61013259
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 55220028
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876
1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124516182
1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124516183
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine
CID 113470030

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 106634107) is 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNCC1CCCCN1.
What is the InChIKey of 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is CQOUPESVTDWWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-13(11(2)17(3)16-10)9-14-8-12-6-4-5-7-15-12/h12,14-15H,4-9H2,1-3H3.
What are the key properties of 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 106634107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).