1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine

C14H21ClN2O — CID 82305391

IUPAC1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine
SMILESCOc1ccc(C(C)CN2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-11(10-17-7-5-16-6-8-17)13-4-3-12(18-2)9-14(13)15/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyLEDXCUYRZXJGBG-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine

1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine (PubChem CID 82305391) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine
PubChem CID82305391
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine
SMILESCOc1ccc(C(C)CN2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-11(10-17-7-5-16-6-8-17)13-4-3-12(18-2)9-14(13)15/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyLEDXCUYRZXJGBG-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
2-chloro-4-methoxy-N-(2-piperazin-1-ylethyl)aniline
CID 115230289
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane
CID 82086944
1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine
CID 175883284
1-[(2R)-2-(4-chlorophenoxy)propyl]piperazine
CID 96925921
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
1-[(3-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazine
CID 117400621
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
1-[2-(2,5-difluorophenyl)propyl]piperazine
CID 82292755

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine (CID 82305391) is 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine is COc1ccc(C(C)CN2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine?
The InChIKey is LEDXCUYRZXJGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(10-17-7-5-16-6-8-17)13-4-3-12(18-2)9-14(13)15/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine?
1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine has a molecular weight of 268.79 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 82305391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).