3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine

C15H24N2O — CID 10220561

IUPAC3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
SMILESNCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H24N2O/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13,16H2
InChIKeyVQSXCZMVUMSITD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds6

About 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine

3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine (PubChem CID 10220561) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
PubChem CID10220561
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
SMILESNCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H24N2O/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13,16H2
InChIKeyVQSXCZMVUMSITD-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine (CID 10220561) is 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine is NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine?
The InChIKey is VQSXCZMVUMSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13,16H2.
What are the key properties of 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine?
3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 10220561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).