2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine

C14H18ClN — CID 116686092

IUPAC2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine
SMILESCC1CCNC(/C=C/c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClN/c1-11-7-8-16-14(9-11)6-5-12-3-2-4-13(15)10-12/h2-6,10-11,14,16H,7-9H2,1H3/b6-5+
InChIKeyDAZBYRLNGXXBKB-AATRIKPKSA-N
MW235.76 g/mol
LogP3.74
Rot. Bonds2

About 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine

2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine (PubChem CID 116686092) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine
PubChem CID116686092
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine
SMILESCC1CCNC(/C=C/c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClN/c1-11-7-8-16-14(9-11)6-5-12-3-2-4-13(15)10-12/h2-6,10-11,14,16H,7-9H2,1H3/b6-5+
InChIKeyDAZBYRLNGXXBKB-AATRIKPKSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine
CID 116686106
2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine
CID 114911453
3-(3-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 4220867
1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 59686392
(2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 18632070
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazine-2-carbaldehyde
CID 174611576
[(E)-2-(3-chlorophenyl)ethenyl]-trimethylsilane
CID 15743326
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 59987342
1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
CID 114421147
[2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7457630
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine?
The IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine (CID 116686092) is 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine.
What is the SMILES notation for 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine?
The canonical SMILES for 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine is CC1CCNC(/C=C/c2cccc(Cl)c2)C1.
What is the InChIKey of 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine?
The InChIKey is DAZBYRLNGXXBKB-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18ClN/c1-11-7-8-16-14(9-11)6-5-12-3-2-4-13(15)10-12/h2-6,10-11,14,16H,7-9H2,1H3/b6-5+.
What are the key properties of 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine?
2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine has a molecular weight of 235.76 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine is sourced from PubChem (CID 116686092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).