(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone

C14H19ClN2O2 — CID 95970558

IUPAC(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-3-16-6-8-17(9-7-16)14(18)11-4-5-13(19-2)12(15)10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyUWECFAKKGRAJRF-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.13
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone

(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 95970558) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID95970558
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-3-16-6-8-17(9-7-16)14(18)11-4-5-13(19-2)12(15)10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyUWECFAKKGRAJRF-UHFFFAOYSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
methyl 4-(3-chloro-4-ethoxybenzoyl)piperazine-1-carboxylate
CID 110803291
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404012
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
(3-chloro-4-methoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 100688213
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
[4-(2-chloroethyl)piperazin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732443
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 95970558) is (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is UWECFAKKGRAJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-16-6-8-17(9-7-16)14(18)11-4-5-13(19-2)12(15)10-11/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone?
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 95970558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).