2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine

C15H31N3 — CID 19846005

IUPAC2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(CCCN2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c16-8-14-18-12-6-15(7-13-18)5-4-11-17-9-2-1-3-10-17/h15H,1-14,16H2
InChIKeyUDOCKQLRTIVIQY-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds6

About 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine

2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine (PubChem CID 19846005) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine
PubChem CID19846005
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(CCCN2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c16-8-14-18-12-6-15(7-13-18)5-4-11-17-9-2-1-3-10-17/h15H,1-14,16H2
InChIKeyUDOCKQLRTIVIQY-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine (CID 19846005) is 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine is NCCN1CCC(CCCN2CCCCC2)CC1.
What is the InChIKey of 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine?
The InChIKey is UDOCKQLRTIVIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c16-8-14-18-12-6-15(7-13-18)5-4-11-17-9-2-1-3-10-17/h15H,1-14,16H2.
What are the key properties of 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine?
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 19846005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).