4-piperidin-1-ylbutan-1-amine

C9H20N2 — CID 6484144

IUPAC4-piperidin-1-ylbutan-1-amine
SMILESNCCCCN1CCCCC1
InChIInChI=1S/C9H20N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-10H2
InChIKeyACOXURKIHJSMAC-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds4

About 4-piperidin-1-ylbutan-1-amine

4-piperidin-1-ylbutan-1-amine (PubChem CID 6484144) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name4-piperidin-1-ylbutan-1-amine
PubChem CID6484144
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-piperidin-1-ylbutan-1-amine
SMILESNCCCCN1CCCCC1
InChIInChI=1S/C9H20N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-10H2
InChIKeyACOXURKIHJSMAC-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-piperidin-1-ylbutan-1-amine?
The IUPAC name of 4-piperidin-1-ylbutan-1-amine (CID 6484144) is 4-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 4-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 4-piperidin-1-ylbutan-1-amine is NCCCCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbutan-1-amine?
The InChIKey is ACOXURKIHJSMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-10H2.
What are the key properties of 4-piperidin-1-ylbutan-1-amine?
4-piperidin-1-ylbutan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 6484144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).