1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride

C14H21Cl2FN2 — CID 171172193

IUPAC1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride
SMILESCc1cccc(Cl)c1[C@@H](CCF)N1CCNCC1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-11-3-2-4-12(15)14(11)13(5-6-16)18-9-7-17-8-10-18;/h2-4,13,17H,5-10H2,1H3;1H/t13-;/m1./s1
InChIKeySABHHBHUWPEMIG-BTQNPOSSSA-N
MW307.24 g/mol
LogP3.38
Rot. Bonds4

About 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride

1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride (PubChem CID 171172193) has the molecular formula C14H21Cl2FN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride
PubChem CID171172193
Molecular FormulaC14H21Cl2FN2
Molecular Weight307.24 g/mol
Exact Mass306.11
IUPAC Name1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride
SMILESCc1cccc(Cl)c1[C@@H](CCF)N1CCNCC1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-11-3-2-4-12(15)14(11)13(5-6-16)18-9-7-17-8-10-18;/h2-4,13,17H,5-10H2,1H3;1H/t13-;/m1./s1
InChIKeySABHHBHUWPEMIG-BTQNPOSSSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine
CID 171166861
1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
CID 171162697
1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine
CID 171164269
1-[(1S)-1-(2-chloro-6-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171309408
1-[(1R)-1-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172187
1-[(1S)-1-(2-chloro-6-methylphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171177438
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171166094
(3S)-3-(2-chloro-6-methylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171177440
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171167951
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
CID 171284992
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride (CID 171172193) is 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride is Cc1cccc(Cl)c1[C@@H](CCF)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The InChIKey is SABHHBHUWPEMIG-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20ClFN2.ClH/c1-11-3-2-4-12(15)14(11)13(5-6-16)18-9-7-17-8-10-18;/h2-4,13,17H,5-10H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride has a molecular weight of 307.24 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171172193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).