3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine

C12H22N4 — CID 129498573

IUPAC3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine
SMILESCn1ccc([C@H]2CCCN(CCCN)C2)n1
InChIInChI=1S/C12H22N4/c1-15-9-5-12(14-15)11-4-2-7-16(10-11)8-3-6-13/h5,9,11H,2-4,6-8,10,13H2,1H3/t11-/m0/s1
InChIKeyQCIXHYQSGDANLA-NSHDSACASA-N
MW222.34 g/mol
LogP0.95
Rot. Bonds4

About 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine

3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine (PubChem CID 129498573) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine
PubChem CID129498573
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine
SMILESCn1ccc([C@H]2CCCN(CCCN)C2)n1
InChIInChI=1S/C12H22N4/c1-15-9-5-12(14-15)11-4-2-7-16(10-11)8-3-6-13/h5,9,11H,2-4,6-8,10,13H2,1H3/t11-/m0/s1
InChIKeyQCIXHYQSGDANLA-NSHDSACASA-N
XLogP0.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine (CID 129498573) is 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine is Cn1ccc([C@H]2CCCN(CCCN)C2)n1.
What is the InChIKey of 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine?
The InChIKey is QCIXHYQSGDANLA-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4/c1-15-9-5-12(14-15)11-4-2-7-16(10-11)8-3-6-13/h5,9,11H,2-4,6-8,10,13H2,1H3/t11-/m0/s1.
What are the key properties of 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine?
3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 129498573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).