5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine

C14H26N4 — CID 155741023

IUPAC5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine
SMILESCc1cnn(C2CCCN(CCCCCN)C2)c1
InChIInChI=1S/C14H26N4/c1-13-10-16-18(11-13)14-6-5-9-17(12-14)8-4-2-3-7-15/h10-11,14H,2-9,12,15H2,1H3
InChIKeyOYNWWNFGGQARLY-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.96
Rot. Bonds6

About 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine

5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine (PubChem CID 155741023) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine
PubChem CID155741023
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine
SMILESCc1cnn(C2CCCN(CCCCCN)C2)c1
InChIInChI=1S/C14H26N4/c1-13-10-16-18(11-13)14-6-5-9-17(12-14)8-4-2-3-7-15/h10-11,14H,2-9,12,15H2,1H3
InChIKeyOYNWWNFGGQARLY-UHFFFAOYSA-N
XLogP1.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine?
The IUPAC name of 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine (CID 155741023) is 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine is Cc1cnn(C2CCCN(CCCCCN)C2)c1.
What is the InChIKey of 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine?
The InChIKey is OYNWWNFGGQARLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13-10-16-18(11-13)14-6-5-9-17(12-14)8-4-2-3-7-15/h10-11,14H,2-9,12,15H2,1H3.
What are the key properties of 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine?
5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine is sourced from PubChem (CID 155741023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).