1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine

C17H24ClNO — CID 175675430

IUPAC1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine
SMILESClc1ccc(/C=C/COCCCN2CCCCC2)cc1
InChIInChI=1S/C17H24ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h4,6-10H,1-3,5,11-15H2/b6-4+
InChIKeyMWDSVYWRLNIJBF-GQCTYLIASA-N
MW293.84 g/mol
LogP4.25
Rot. Bonds7

About 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine

1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine (PubChem CID 175675430) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine
PubChem CID175675430
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine
SMILESClc1ccc(/C=C/COCCCN2CCCCC2)cc1
InChIInChI=1S/C17H24ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h4,6-10H,1-3,5,11-15H2/b6-4+
InChIKeyMWDSVYWRLNIJBF-GQCTYLIASA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(E)-3-(1-benzofuran-5-yl)prop-2-enoxy]propyl]pyrrolidine
CID 11978617
1-[3-[(E)-3-(3H-1,2-benzodioxol-5-yl)prop-2-enoxy]propyl]pyrrolidine
CID 86621824
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
CID 68905693
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
(1S,5R)-3-[(4-chlorophenyl)methyl]-6-(3-piperidin-1-ylpropoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 11631928
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
CID 2582694
1-[4-(4-chlorophenyl)but-3-enyl]-4-methylpiperidine
CID 139776343
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
CID 14044887

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine?
The IUPAC name of 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine (CID 175675430) is 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine is Clc1ccc(/C=C/COCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine?
The InChIKey is MWDSVYWRLNIJBF-GQCTYLIASA-N. The full InChI is InChI=1S/C17H24ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h4,6-10H,1-3,5,11-15H2/b6-4+.
What are the key properties of 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine?
1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine has a molecular weight of 293.84 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine is sourced from PubChem (CID 175675430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).