2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

C16H23N5 — CID 61068727

IUPAC2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESc1cncc(-c2[nH]ncc2CNCCN2CCCCC2)c1
InChIInChI=1S/C16H23N5/c1-2-8-21(9-3-1)10-7-18-12-15-13-19-20-16(15)14-5-4-6-17-11-14/h4-6,11,13,18H,1-3,7-10,12H2,(H,19,20)
InChIKeyCQNFIWFKLNJZFK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.05
Rot. Bonds6

About 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 61068727) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID61068727
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESc1cncc(-c2[nH]ncc2CNCCN2CCCCC2)c1
InChIInChI=1S/C16H23N5/c1-2-8-21(9-3-1)10-7-18-12-15-13-19-20-16(15)14-5-4-6-17-11-14/h4-6,11,13,18H,1-3,7-10,12H2,(H,19,20)
InChIKeyCQNFIWFKLNJZFK-UHFFFAOYSA-N
XLogP2.05
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 61068727) is 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is c1cncc(-c2[nH]ncc2CNCCN2CCCCC2)c1.
What is the InChIKey of 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is CQNFIWFKLNJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-8-21(9-3-1)10-7-18-12-15-13-19-20-16(15)14-5-4-6-17-11-14/h4-6,11,13,18H,1-3,7-10,12H2,(H,19,20).
What are the key properties of 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61068727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).