1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine

C19H27ClN2O — CID 57292128

IUPAC1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine
SMILESCCC=C(C=Cc1ccc(Cl)cc1)NOCCN1CCCCC1
InChIInChI=1S/C19H27ClN2O/c1-2-6-19(12-9-17-7-10-18(20)11-8-17)21-23-16-15-22-13-4-3-5-14-22/h6-12,21H,2-5,13-16H2,1H3
InChIKeyOENYLQMKJUOQMQ-UHFFFAOYSA-N
MW334.89 g/mol
LogP4.65
Rot. Bonds8

About 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine

1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine (PubChem CID 57292128) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine
PubChem CID57292128
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine
SMILESCCC=C(C=Cc1ccc(Cl)cc1)NOCCN1CCCCC1
InChIInChI=1S/C19H27ClN2O/c1-2-6-19(12-9-17-7-10-18(20)11-8-17)21-23-16-15-22-13-4-3-5-14-22/h6-12,21H,2-5,13-16H2,1H3
InChIKeyOENYLQMKJUOQMQ-UHFFFAOYSA-N
XLogP4.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.65
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

2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine
CID 24731539
(E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine
CID 24840587
6-[(4-chlorophenyl)methylidene]-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56613448
6-[(4-chlorophenyl)methylidene]-N-[3-[di(propan-2-yl)amino]propoxy]cyclohexen-1-amine
CID 56620931
1-(4-chlorophenyl)-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 56976968
6-[(4-chlorophenyl)methylidene]-N-[2-[di(propan-2-yl)amino]ethoxy]-2-methylcyclohexen-1-amine
CID 56982194
2-butyl-6-[(4-chlorophenyl)methylidene]-N-[2-[(2R)-morpholin-2-yl]ethoxy]cyclohexen-1-amine
CID 56989812
1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine
CID 57002362
1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine
CID 57011050
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294
1-(4-chlorophenyl)-6-methyl-N-(3-pyrrolidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57018728

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine (CID 57292128) is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine is CCC=C(C=Cc1ccc(Cl)cc1)NOCCN1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine?
The InChIKey is OENYLQMKJUOQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-2-6-19(12-9-17-7-10-18(20)11-8-17)21-23-16-15-22-13-4-3-5-14-22/h6-12,21H,2-5,13-16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine?
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine has a molecular weight of 334.89 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)hexa-1,3-dien-3-amine is sourced from PubChem (CID 57292128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).