5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine

C20H30N2O — CID 57152279

IUPAC5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine
SMILESCC(C)C=C(C=Cc1ccccc1)NOCCN1CCCCC1
InChIInChI=1S/C20H30N2O/c1-18(2)17-20(12-11-19-9-5-3-6-10-19)21-23-16-15-22-13-7-4-8-14-22/h3,5-6,9-12,17-18,21H,4,7-8,13-16H2,1-2H3
InChIKeyNCNFAJURPRXJJY-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.25
Rot. Bonds8

About 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine

5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine (PubChem CID 57152279) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine
PubChem CID57152279
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine
SMILESCC(C)C=C(C=Cc1ccccc1)NOCCN1CCCCC1
InChIInChI=1S/C20H30N2O/c1-18(2)17-20(12-11-19-9-5-3-6-10-19)21-23-16-15-22-13-7-4-8-14-22/h3,5-6,9-12,17-18,21H,4,7-8,13-16H2,1-2H3
InChIKeyNCNFAJURPRXJJY-UHFFFAOYSA-N
XLogP4.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-benzylidene-N-butoxy-N-octylcyclohexa-1,3-dien-1-amine
CID 54156813
N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
CID 56975572
N-[(2R)-3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine
CID 57142195
6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine
CID 57246196
1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57265218
N-[2-[benzyl(methyl)amino]ethoxy]aniline
CID 23193285
6-[dimethylamino(phenyl)methylidene]-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53736280
6-benzylidene-N-butyl-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53813443
6-benzylidene-N-butyl-N-methoxycyclohexa-1,3-dien-1-amine
CID 53886640
6-[dimethylamino(phenyl)methylidene]-N-methoxycyclohexa-1,3-dien-1-amine
CID 54136530
8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
CID 56613452
6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
CID 56616499

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine?
The IUPAC name of 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine (CID 57152279) is 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine.
What is the SMILES notation for 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine?
The canonical SMILES for 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine is CC(C)C=C(C=Cc1ccccc1)NOCCN1CCCCC1.
What is the InChIKey of 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine?
The InChIKey is NCNFAJURPRXJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-18(2)17-20(12-11-19-9-5-3-6-10-19)21-23-16-15-22-13-7-4-8-14-22/h3,5-6,9-12,17-18,21H,4,7-8,13-16H2,1-2H3.
What are the key properties of 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine?
5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine has a molecular weight of 314.47 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine is sourced from PubChem (CID 57152279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).