1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine

C20H30N2O — CID 57011050

IUPAC1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine
SMILESCCC=C(C=Cc1ccccc1)NOCCCN1CCCCC1
InChIInChI=1S/C20H30N2O/c1-2-10-20(14-13-19-11-5-3-6-12-19)21-23-18-9-17-22-15-7-4-8-16-22/h3,5-6,10-14,21H,2,4,7-9,15-18H2,1H3
InChIKeyKTNIGPIFNSBEGD-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.39
Rot. Bonds9

About 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine

1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine (PubChem CID 57011050) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine.

Molecular Properties

Compound Name1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine
PubChem CID57011050
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine
SMILESCCC=C(C=Cc1ccccc1)NOCCCN1CCCCC1
InChIInChI=1S/C20H30N2O/c1-2-10-20(14-13-19-11-5-3-6-12-19)21-23-18-9-17-22-15-7-4-8-16-22/h3,5-6,10-14,21H,2,4,7-9,15-18H2,1H3
InChIKeyKTNIGPIFNSBEGD-UHFFFAOYSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.39
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
(2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine
CID 89160653
Butoxy benzylidene pentylaniline
CID 129728763
Ethoxybenzylidene-butylaniline
CID 129772647
(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine
CID 18993354
8-Benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane
CID 19814252
3-(benzylamino)oxy-N,N-diethylpropan-1-amine
CID 22436704
6-[dimethylamino(phenyl)methylidene]-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53736280

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine?
The IUPAC name of 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine (CID 57011050) is 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine.
What is the SMILES notation for 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine?
The canonical SMILES for 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine is CCC=C(C=Cc1ccccc1)NOCCCN1CCCCC1.
What is the InChIKey of 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine?
The InChIKey is KTNIGPIFNSBEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-10-20(14-13-19-11-5-3-6-12-19)21-23-18-9-17-22-15-7-4-8-16-22/h3,5-6,10-14,21H,2,4,7-9,15-18H2,1H3.
What are the key properties of 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine?
1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine has a molecular weight of 314.47 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine is sourced from PubChem (CID 57011050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).