1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C13H22N4O — CID 74232084

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCCCC1CN
InChIInChI=1S/C13H22N4O/c1-16-11(7-8-15-16)5-6-13(18)17-9-3-2-4-12(17)10-14/h7-8,12H,2-6,9-10,14H2,1H3
InChIKeyQQCQHIDDJBTQQM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.69
Rot. Bonds4

About 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 74232084) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID74232084
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCCCC1CN
InChIInChI=1S/C13H22N4O/c1-16-11(7-8-15-16)5-6-13(18)17-9-3-2-4-12(17)10-14/h7-8,12H,2-6,9-10,14H2,1H3
InChIKeyQQCQHIDDJBTQQM-UHFFFAOYSA-N
XLogP0.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 74232084) is 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)N1CCCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is QQCQHIDDJBTQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-11(7-8-15-16)5-6-13(18)17-9-3-2-4-12(17)10-14/h7-8,12H,2-6,9-10,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 250.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 74232084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).