3-(1-benzylpiperidin-4-yl)oxypropan-1-amine

C15H24N2O — CID 18425738

IUPAC3-(1-benzylpiperidin-4-yl)oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,16H2
InChIKeyUXFPMNSYBVPROG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds6

About 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine

3-(1-benzylpiperidin-4-yl)oxypropan-1-amine (PubChem CID 18425738) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)oxypropan-1-amine
PubChem CID18425738
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(1-benzylpiperidin-4-yl)oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,16H2
InChIKeyUXFPMNSYBVPROG-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-benzylpiperidin-4-yl)oxypropan-1-amine?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine (CID 18425738) is 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine is NCCCOC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine?
The InChIKey is UXFPMNSYBVPROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,16H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine?
3-(1-benzylpiperidin-4-yl)oxypropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 18425738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).