3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine

C23H32N2O — CID 3583664

IUPAC3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H32N2O/c1-20-8-5-6-16-25(20)17-7-15-24-18-21-11-13-23(14-12-21)26-19-22-9-3-2-4-10-22/h2-4,9-14,20,24H,5-8,15-19H2,1H3
InChIKeyNEWLKLPQYBDCRL-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.62
Rot. Bonds9

About 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine

3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine (PubChem CID 3583664) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
PubChem CID3583664
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H32N2O/c1-20-8-5-6-16-25(20)17-7-15-24-18-21-11-13-23(14-12-21)26-19-22-9-3-2-4-10-22/h2-4,9-14,20,24H,5-8,15-19H2,1H3
InChIKeyNEWLKLPQYBDCRL-UHFFFAOYSA-N
XLogP4.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.62
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-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine (CID 3583664) is 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine is CC1CCCCN1CCCNCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The InChIKey is NEWLKLPQYBDCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-20-8-5-6-16-25(20)17-7-15-24-18-21-11-13-23(14-12-21)26-19-22-9-3-2-4-10-22/h2-4,9-14,20,24H,5-8,15-19H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine has a molecular weight of 352.52 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 3583664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).