1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride

C14H21Cl2FN2 — CID 171168852

IUPAC1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
SMILESCCC[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-2-3-14(18-8-6-17-7-9-18)11-4-5-13(16)12(15)10-11;/h4-5,10,14,17H,2-3,6-9H2,1H3;1H/t14-;/m1./s1
InChIKeyCDADWNAYVHMTTB-PFEQFJNWSA-N
MW307.24 g/mol
LogP3.65
Rot. Bonds4

About 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride

1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride (PubChem CID 171168852) has the molecular formula C14H21Cl2FN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
PubChem CID171168852
Molecular FormulaC14H21Cl2FN2
Molecular Weight307.24 g/mol
Exact Mass306.11
IUPAC Name1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
SMILESCCC[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-2-3-14(18-8-6-17-7-9-18)11-4-5-13(16)12(15)10-11;/h4-5,10,14,17H,2-3,6-9H2,1H3;1H/t14-;/m1./s1
InChIKeyCDADWNAYVHMTTB-PFEQFJNWSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950
2-chloro-4-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171275716
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
2-fluoro-5-[(1R)-1-piperazin-1-ylbutyl]benzonitrile;dihydrochloride
CID 171293640
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1R)-1-(4-bromo-3-fluorophenyl)butyl]piperazine
CID 171168943
1-[(1S)-1-(3-chloro-5-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171277333
1-[(1S)-1-(3,4,5-trifluorophenyl)butyl]piperazine;hydrochloride
CID 171164975
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
1-[(1S)-1-(2,3-dichloro-6-fluorophenyl)butyl]piperazine;hydrochloride
CID 171167598
1-[(1S)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310312

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride (CID 171168852) is 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride is CCC[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride?
The InChIKey is CDADWNAYVHMTTB-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H20ClFN2.ClH/c1-2-3-14(18-8-6-17-7-9-18)11-4-5-13(16)12(15)10-11;/h4-5,10,14,17H,2-3,6-9H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride?
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride has a molecular weight of 307.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride is sourced from PubChem (CID 171168852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).