1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine

C13H17ClN2O — CID 174430054

IUPAC1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(C=CCl)CC2)c1
InChIInChI=1S/C13H17ClN2O/c1-17-13-4-2-3-12(11-13)16-9-7-15(6-5-14)8-10-16/h2-6,11H,7-10H2,1H3
InChIKeyVHEBBQDVFGQASL-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine

1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine (PubChem CID 174430054) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine
PubChem CID174430054
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(C=CCl)CC2)c1
InChIInChI=1S/C13H17ClN2O/c1-17-13-4-2-3-12(11-13)16-9-7-15(6-5-14)8-10-16/h2-6,11H,7-10H2,1H3
InChIKeyVHEBBQDVFGQASL-UHFFFAOYSA-N
XLogP2.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-(3-methoxyphenyl)azepane
CID 57276431
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43808214
4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 133282077
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine (CID 174430054) is 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(C=CCl)CC2)c1.
What is the InChIKey of 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine?
The InChIKey is VHEBBQDVFGQASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-17-13-4-2-3-12(11-13)16-9-7-15(6-5-14)8-10-16/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine?
1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine has a molecular weight of 252.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 174430054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).