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

C14H26N4 — CID 64770922

IUPAC1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
SMILESCC(C)n1ccc(CNCC2CCCCN2C)n1
InChIInChI=1S/C14H26N4/c1-12(2)18-9-7-13(16-18)10-15-11-14-6-4-5-8-17(14)3/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3
InChIKeyQDHOGFWRMVWRTR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds5

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

1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine (PubChem CID 64770922) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
PubChem CID64770922
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
SMILESCC(C)n1ccc(CNCC2CCCCN2C)n1
InChIInChI=1S/C14H26N4/c1-12(2)18-9-7-13(16-18)10-15-11-14-6-4-5-8-17(14)3/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3
InChIKeyQDHOGFWRMVWRTR-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770921
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 114075415
1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895129
1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 78967537
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64772705
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 64799178
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103748214
N-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 64784941
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 64771683

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine (CID 64770922) is 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine is CC(C)n1ccc(CNCC2CCCCN2C)n1.
What is the InChIKey of 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The InChIKey is QDHOGFWRMVWRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)18-9-7-13(16-18)10-15-11-14-6-4-5-8-17(14)3/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 64770922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).