1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine

C14H26N4 — CID 64770921

IUPAC1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
SMILESCC(C)n1ccc(CNCC2CCCN(C)C2)n1
InChIInChI=1S/C14H26N4/c1-12(2)18-8-6-14(16-18)10-15-9-13-5-4-7-17(3)11-13/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3
InChIKeyPIIQZVSKXAKASZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds5

About 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine

1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine (PubChem CID 64770921) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
PubChem CID64770921
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
SMILESCC(C)n1ccc(CNCC2CCCN(C)C2)n1
InChIInChI=1S/C14H26N4/c1-12(2)18-8-6-14(16-18)10-15-9-13-5-4-7-17(3)11-13/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3
InChIKeyPIIQZVSKXAKASZ-UHFFFAOYSA-N
XLogP1.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 64799883
1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 78967537
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770922
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 64800468
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 64799314
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
1-(1-methylpiperidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62653976
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82881755
1-(1-methylpiperidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
CID 62658500

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine (CID 64770921) is 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine is CC(C)n1ccc(CNCC2CCCN(C)C2)n1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The InChIKey is PIIQZVSKXAKASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)18-8-6-14(16-18)10-15-9-13-5-4-7-17(3)11-13/h6,8,12-13,15H,4-5,7,9-11H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 64770921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).