1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine

C15H23ClN2 — CID 70460835

IUPAC1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2/c1-2-8-17-10-12-18(13-11-17)9-7-14-3-5-15(16)6-4-14/h3-6H,2,7-13H2,1H3
InChIKeyJSCACGYRYMPNKN-UHFFFAOYSA-N
MW266.82 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine

1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine (PubChem CID 70460835) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
PubChem CID70460835
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2/c1-2-8-17-10-12-18(13-11-17)9-7-14-3-5-15(16)6-4-14/h3-6H,2,7-13H2,1H3
InChIKeyJSCACGYRYMPNKN-UHFFFAOYSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
CID 166314408
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
4-[2-(4-ethylpiperazin-1-yl)ethyl]phenol
CID 82187948
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
CID 21275301
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine (CID 70460835) is 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine is CCCN1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine?
The InChIKey is JSCACGYRYMPNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-8-17-10-12-18(13-11-17)9-7-14-3-5-15(16)6-4-14/h3-6H,2,7-13H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine?
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine has a molecular weight of 266.82 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine is sourced from PubChem (CID 70460835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).