3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine

C26H46N4 — CID 46873806

IUPAC3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine
SMILESc1cc(CCNCCCN2CCCCC2)ccc1CCNCCCN1CCCCC1
InChIInChI=1S/C26H46N4/c1-3-19-29(20-4-1)23-7-15-27-17-13-25-9-11-26(12-10-25)14-18-28-16-8-24-30-21-5-2-6-22-30/h9-12,27-28H,1-8,13-24H2
InChIKeyFQDUAYGPFNUCPZ-UHFFFAOYSA-N
MW414.68 g/mol
LogP3.70
Rot. Bonds14

About 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine

3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine (PubChem CID 46873806) has the molecular formula C26H46N4 and a molecular weight of 414.68 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine
PubChem CID46873806
Molecular FormulaC26H46N4
Molecular Weight414.68 g/mol
Exact Mass414.37
IUPAC Name3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine
SMILESc1cc(CCNCCCN2CCCCC2)ccc1CCNCCCN1CCCCC1
InChIInChI=1S/C26H46N4/c1-3-19-29(20-4-1)23-7-15-27-17-13-25-9-11-26(12-10-25)14-18-28-16-8-24-30-21-5-2-6-22-30/h9-12,27-28H,1-8,13-24H2
InChIKeyFQDUAYGPFNUCPZ-UHFFFAOYSA-N
XLogP3.70
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 53.70
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 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine (CID 46873806) is 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine is c1cc(CCNCCCN2CCCCC2)ccc1CCNCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine?
The InChIKey is FQDUAYGPFNUCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N4/c1-3-19-29(20-4-1)23-7-15-27-17-13-25-9-11-26(12-10-25)14-18-28-16-8-24-30-21-5-2-6-22-30/h9-12,27-28H,1-8,13-24H2.
What are the key properties of 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine?
3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine has a molecular weight of 414.68 g/mol, XLogP of 3.70, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[2-[4-[2-(3-piperidin-1-ylpropylamino)ethyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 46873806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).