1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine

C24H33ClN2O2 — CID 58588861

IUPAC1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine
SMILESCOc1cc(N2CCN(C(C)c3ccc(OC(C)C)c(C)c3C)CC2)ccc1Cl
InChIInChI=1S/C24H33ClN2O2/c1-16(2)29-23-10-8-21(17(3)18(23)4)19(5)26-11-13-27(14-12-26)20-7-9-22(25)24(15-20)28-6/h7-10,15-16,19H,11-14H2,1-6H3
InChIKeyHBRXTOSHHGPYSU-UHFFFAOYSA-N
MW416.99 g/mol
LogP5.64
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine

1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine (PubChem CID 58588861) has the molecular formula C24H33ClN2O2 and a molecular weight of 416.99 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine
PubChem CID58588861
Molecular FormulaC24H33ClN2O2
Molecular Weight416.99 g/mol
Exact Mass416.22
IUPAC Name1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine
SMILESCOc1cc(N2CCN(C(C)c3ccc(OC(C)C)c(C)c3C)CC2)ccc1Cl
InChIInChI=1S/C24H33ClN2O2/c1-16(2)29-23-10-8-21(17(3)18(23)4)19(5)26-11-13-27(14-12-26)20-7-9-22(25)24(15-20)28-6/h7-10,15-16,19H,11-14H2,1-6H3
InChIKeyHBRXTOSHHGPYSU-UHFFFAOYSA-N
XLogP5.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.99
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine
CID 58589211
(6R)-2-(4-chloro-3-methoxyphenyl)-6-(2,3-dimethyl-4-propan-2-yloxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 143169321
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)acetaldehyde
CID 87580342
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672
(2S)-4-(4-chloro-3-methoxyphenyl)-1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methylpiperazine;1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluoro-3-methoxyphenyl)piperazine
CID 158040810
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
magnesium;carbanide;1-(4-chloro-3-methoxyphenyl)piperazine;4-[1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethyl]quinoline;methane;quinoline-4-carbaldehyde;chloride
CID 159060865
CID 89264833
CID 89264833
[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]methanamine
CID 69192601
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine
CID 22021972

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine (CID 58588861) is 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine is COc1cc(N2CCN(C(C)c3ccc(OC(C)C)c(C)c3C)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine?
The InChIKey is HBRXTOSHHGPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O2/c1-16(2)29-23-10-8-21(17(3)18(23)4)19(5)26-11-13-27(14-12-26)20-7-9-22(25)24(15-20)28-6/h7-10,15-16,19H,11-14H2,1-6H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine?
1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine has a molecular weight of 416.99 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine is sourced from PubChem (CID 58588861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).