1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine

C15H21Cl2FN2 — CID 594236

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine
SMILESFCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2
InChIKeySYLQLALDNDYPPG-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.51
Rot. Bonds6

About 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine

1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine (PubChem CID 594236) has the molecular formula C15H21Cl2FN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine
PubChem CID594236
Molecular FormulaC15H21Cl2FN2
Molecular Weight319.25 g/mol
Exact Mass318.11
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine
SMILESFCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2
InChIKeySYLQLALDNDYPPG-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
3-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 122029349
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904538
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904537
1-(2-bromoethyl)-4-[(3,4-dichlorophenyl)methyl]piperazine
CID 80674464
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
1-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136518974
methyl 3-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxylate
CID 167951646
2-(3,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575166
2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole
CID 137448596
1-[2-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane
CID 82482788
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-[3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]piperazine
CID 14097041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine (CID 594236) is 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine is FCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine?
The InChIKey is SYLQLALDNDYPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2.
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine?
1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine has a molecular weight of 319.25 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine is sourced from PubChem (CID 594236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).