2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine

C20H26N2 — CID 55378279

IUPAC2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
SMILESc1ccc(CCNCc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H26N2/c1-3-7-18(8-4-1)13-14-21-17-19-9-11-20(12-10-19)22-15-5-2-6-16-22/h1,3-4,7-12,21H,2,5-6,13-17H2
InChIKeyNEUBDYPKPUXNKA-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.01
Rot. Bonds6

About 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine

2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine (PubChem CID 55378279) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
PubChem CID55378279
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
SMILESc1ccc(CCNCc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H26N2/c1-3-7-18(8-4-1)13-14-21-17-19-9-11-20(12-10-19)22-15-5-2-6-16-22/h1,3-4,7-12,21H,2,5-6,13-17H2
InChIKeyNEUBDYPKPUXNKA-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
CID 84753885
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine
CID 110823414
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
3,3,3-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 63226462
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 63001311
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
CID 103757663
3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962809

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine (CID 55378279) is 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine is c1ccc(CCNCc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is NEUBDYPKPUXNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-3-7-18(8-4-1)13-14-21-17-19-9-11-20(12-10-19)22-15-5-2-6-16-22/h1,3-4,7-12,21H,2,5-6,13-17H2.
What are the key properties of 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 294.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 55378279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).