1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine

C14H19ClN2O — CID 82304677

IUPAC1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine
SMILESCOc1ccc(/C=C/CN2CCNCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-18-14-5-4-12(11-13(14)15)3-2-8-17-9-6-16-7-10-17/h2-5,11,16H,6-10H2,1H3/b3-2+
InChIKeyWWJWFGKQVRRIFE-NSCUHMNNSA-N
MW266.77 g/mol
LogP2.27
Rot. Bonds4

About 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine

1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine (PubChem CID 82304677) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine
PubChem CID82304677
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine
SMILESCOc1ccc(/C=C/CN2CCNCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-18-14-5-4-12(11-13(14)15)3-2-8-17-9-6-16-7-10-17/h2-5,11,16H,6-10H2,1H3/b3-2+
InChIKeyWWJWFGKQVRRIFE-NSCUHMNNSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-methoxyphenyl)but-3-enal
CID 91126209
1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enyl]-1,4-diazepane
CID 82301892
1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
CID 95457646
1-(3-chloro-4-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229969
4-(3-chloro-4-methoxyphenyl)but-3-enamide
CID 170797760
(E)-4-(3-chloro-4-methoxyphenyl)but-3-en-2-one
CID 65021560
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
CID 6438850
1-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]-1,4-diazepane
CID 95466896
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
(E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 39306054

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine (CID 82304677) is 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine is COc1ccc(/C=C/CN2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine?
The InChIKey is WWJWFGKQVRRIFE-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-18-14-5-4-12(11-13(14)15)3-2-8-17-9-6-16-7-10-17/h2-5,11,16H,6-10H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine?
1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine has a molecular weight of 266.77 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 82304677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).