1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine

C15H21ClN2O — CID 57235122

IUPAC1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine
SMILESC=C(NOCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-13(14-5-7-15(16)8-6-14)17-19-12-11-18-9-3-2-4-10-18/h5-8,17H,1-4,9-12H2
InChIKeyKKOPJBHHRBWAFX-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.32
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine

1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine (PubChem CID 57235122) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine
PubChem CID57235122
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine
SMILESC=C(NOCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-13(14-5-7-15(16)8-6-14)17-19-12-11-18-9-3-2-4-10-18/h5-8,17H,1-4,9-12H2
InChIKeyKKOPJBHHRBWAFX-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.32
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'}

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Related Compounds

4-[(4-Chlorophenyl)methyl]morpholine
CID 783204
2-(4-Chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16461923
3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767408
2-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]ethanol
CID 742469
(S)-2-(4-Chlorophenyl)-2-morpholinoethan-1-amine
CID 9079287
Morpholine, 4-[1-(4-chlorophenyl)ethenyl]-
CID 10922146
4-[1-(4-Chlorophenyl)prop-2-enyl]morpholine
CID 11961332
N-[(4-chlorophenyl)methyl]-2-hydroxy-N-(2-hydroxyethyl)ethanamine oxide
CID 134926726
4-[(1E,3E)-1,4-bis(4-chlorophenyl)buta-1,3-dienyl]morpholine
CID 164679252
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
4-[1-(4-Chlorophenyl)butyl]morpholine
CID 3057364
2-Aminomethyl-4-(p-chlorobenzyl)morpholine
CID 16244548

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine (CID 57235122) is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine is C=C(NOCCN1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine?
The InChIKey is KKOPJBHHRBWAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-13(14-5-7-15(16)8-6-14)17-19-12-11-18-9-3-2-4-10-18/h5-8,17H,1-4,9-12H2.
What are the key properties of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine?
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethenamine has a molecular weight of 280.80 g/mol, XLogP of 3.32, 6 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)ethenamine is sourced from PubChem (CID 57235122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).