[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine

C13H24N4 — CID 64771254

IUPAC[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
SMILESCC(C)n1ccc(CN2CCC(CN)CC2)n1
InChIInChI=1S/C13H24N4/c1-11(2)17-8-5-13(15-17)10-16-6-3-12(9-14)4-7-16/h5,8,11-12H,3-4,6-7,9-10,14H2,1-2H3
InChIKeyAETNHJIUUMWBFH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds4

About [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine

[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 64771254) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
PubChem CID64771254
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
SMILESCC(C)n1ccc(CN2CCC(CN)CC2)n1
InChIInChI=1S/C13H24N4/c1-11(2)17-8-5-13(15-17)10-16-6-3-12(9-14)4-7-16/h5,8,11-12H,3-4,6-7,9-10,14H2,1-2H3
InChIKeyAETNHJIUUMWBFH-UHFFFAOYSA-N
XLogP1.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 64772396
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553361
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
4-(2-bromoethoxy)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine
CID 82691245
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 64779447
8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 64771332
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64772847

Frequently Asked Questions

What is the IUPAC name of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine (CID 64771254) is [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine is CC(C)n1ccc(CN2CCC(CN)CC2)n1.
What is the InChIKey of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is AETNHJIUUMWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)17-8-5-13(15-17)10-16-6-3-12(9-14)4-7-16/h5,8,11-12H,3-4,6-7,9-10,14H2,1-2H3.
What are the key properties of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine?
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 64771254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).