4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine

C16H18ClN — CID 134385650

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(/C=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H18ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
InChIKeyXBCYFUCWFJDYFA-ONEGZZNKSA-N
MW259.78 g/mol
LogP3.70
Rot. Bonds3

About 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine

4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine (PubChem CID 134385650) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine
PubChem CID134385650
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(/C=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H18ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+
InChIKeyXBCYFUCWFJDYFA-ONEGZZNKSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Clofilium
CID 2798
3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]octane
CID 15679192
(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
CID 9837874
4-(4-Chlorophenyl)-1-propylpiperidine
CID 70686262
(2S,3S)-2-Butyl-3-(4-chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44335535
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-propyl-8-aza-bicyclo[3.2.1]octane
CID 44335593
LY 97119
CID 194450
(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine
CID 10682211
(3R,4S)-4-(4-Chloro-phenyl)-3-(3-fluoro-propyl)-1-methyl-piperidine
CID 11242662
4-(4-Chloro-phenyl)-1-(4-phenyl-butyl)-1,2,3,6-tetrahydro-pyridine
CID 18790204
4-[2-(4-Chlorophenyl)ethyl]-1-prop-2-ynylpiperidine
CID 134366910
4-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 134385638

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine (CID 134385650) is 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine is C#CCN1CCC(/C=C/c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine?
The InChIKey is XBCYFUCWFJDYFA-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H18ClN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,3-8,15H,9-13H2/b4-3+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine?
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine has a molecular weight of 259.78 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylpiperidine is sourced from PubChem (CID 134385650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).