1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride

C17H24Cl2F2N2 — CID 171166960

IUPAC1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
SMILESCl.Fc1cc(Cl)cc(F)c1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H23ClF2N2.ClH/c18-13-10-14(19)16(15(20)11-13)17(12-4-2-1-3-5-12)22-8-6-21-7-9-22;/h10-12,17,21H,1-9H2;1H/t17-;/m0./s1
InChIKeyUVMBEMYSAFPUNX-LMOVPXPDSA-N
MW365.30 g/mol
LogP4.57
Rot. Bonds3

About 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride

1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride (PubChem CID 171166960) has the molecular formula C17H24Cl2F2N2 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
PubChem CID171166960
Molecular FormulaC17H24Cl2F2N2
Molecular Weight365.30 g/mol
Exact Mass364.13
IUPAC Name1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
SMILESCl.Fc1cc(Cl)cc(F)c1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H23ClF2N2.ClH/c18-13-10-14(19)16(15(20)11-13)17(12-4-2-1-3-5-12)22-8-6-21-7-9-22;/h10-12,17,21H,1-9H2;1H/t17-;/m0./s1
InChIKeyUVMBEMYSAFPUNX-LMOVPXPDSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171165147
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171171500
1-[(S)-cyclopentyl-(2,3-dichloro-6-fluorophenyl)methyl]piperazine;hydrochloride
CID 171167632
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-3,6-difluorophenol;dihydrochloride
CID 171300095
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171299571
1-[(S)-(2-chloro-3,6-difluorophenyl)-cyclobutylmethyl]piperazine
CID 171180450

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride (CID 171166960) is 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride is Cl.Fc1cc(Cl)cc(F)c1[C@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride?
The InChIKey is UVMBEMYSAFPUNX-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H23ClF2N2.ClH/c18-13-10-14(19)16(15(20)11-13)17(12-4-2-1-3-5-12)22-8-6-21-7-9-22;/h10-12,17,21H,1-9H2;1H/t17-;/m0./s1.
What are the key properties of 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride?
1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride has a molecular weight of 365.30 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 171166960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).