1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine

C26H35ClN2O2 — CID 58589211

IUPAC1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine
SMILESCOc1cc(N2CCN(C(C)c3ccc(OC4CCCC4)c(C)c3C)CC2)ccc1Cl
InChIInChI=1S/C26H35ClN2O2/c1-18-19(2)25(31-22-7-5-6-8-22)12-10-23(18)20(3)28-13-15-29(16-14-28)21-9-11-24(27)26(17-21)30-4/h9-12,17,20,22H,5-8,13-16H2,1-4H3
InChIKeyGXSURDLEFCTVLC-UHFFFAOYSA-N
MW443.03 g/mol
LogP6.17
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine

1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine (PubChem CID 58589211) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine
PubChem CID58589211
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC Name1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine
SMILESCOc1cc(N2CCN(C(C)c3ccc(OC4CCCC4)c(C)c3C)CC2)ccc1Cl
InChIInChI=1S/C26H35ClN2O2/c1-18-19(2)25(31-22-7-5-6-8-22)12-10-23(18)20(3)28-13-15-29(16-14-28)21-9-11-24(27)26(17-21)30-4/h9-12,17,20,22H,5-8,13-16H2,1-4H3
InChIKeyGXSURDLEFCTVLC-UHFFFAOYSA-N
XLogP6.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.03
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-4-[1-(2,3-dimethyl-4-propan-2-yloxyphenyl)ethyl]piperazine
CID 58588861
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
(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-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-diazepane
CID 143534246
2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)acetaldehyde
CID 87580342
(6R)-2-(4-chloro-3-methoxyphenyl)-6-[2,3-dimethyl-4-(3-methylbutoxy)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 143169531
(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]piperidin-3-yl]methanamine
CID 69192601
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
1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
CID 117429947
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine (CID 58589211) is 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine is COc1cc(N2CCN(C(C)c3ccc(OC4CCCC4)c(C)c3C)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine?
The InChIKey is GXSURDLEFCTVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN2O2/c1-18-19(2)25(31-22-7-5-6-8-22)12-10-23(18)20(3)28-13-15-29(16-14-28)21-9-11-24(27)26(17-21)30-4/h9-12,17,20,22H,5-8,13-16H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine?
1-(4-chloro-3-methoxyphenyl)-4-[1-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine has a molecular weight of 443.03 g/mol, XLogP of 6.17, 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-(4-cyclopentyloxy-2,3-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 58589211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).