1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride

C18H22ClF3N2 — CID 171165950

IUPAC1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
SMILESCc1ccc([C@H](CC(F)(F)F)N2CCNCC2)c2ccccc12.Cl
InChIInChI=1S/C18H21F3N2.ClH/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-18(19,20)21)23-10-8-22-9-11-23;/h2-7,17,22H,8-12H2,1H3;1H/t17-;/m0./s1
InChIKeySEHKQNPTBLABSE-LMOVPXPDSA-N
MW358.84 g/mol
LogP4.47
Rot. Bonds3

About 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride

1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride (PubChem CID 171165950) has the molecular formula C18H22ClF3N2 and a molecular weight of 358.84 g/mol. Its IUPAC name is 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
PubChem CID171165950
Molecular FormulaC18H22ClF3N2
Molecular Weight358.84 g/mol
Exact Mass358.14
IUPAC Name1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
SMILESCc1ccc([C@H](CC(F)(F)F)N2CCNCC2)c2ccccc12.Cl
InChIInChI=1S/C18H21F3N2.ClH/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-18(19,20)21)23-10-8-22-9-11-23;/h2-7,17,22H,8-12H2,1H3;1H/t17-;/m0./s1
InChIKeySEHKQNPTBLABSE-LMOVPXPDSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
CID 171171355
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290
1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
CID 171180294
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015
1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171168966
1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169153
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
1-[(1S)-1-(4-chloro-2-methylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303000
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
CID 171302294
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride (CID 171165950) is 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride is Cc1ccc([C@H](CC(F)(F)F)N2CCNCC2)c2ccccc12.Cl.
What is the InChIKey of 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride?
The InChIKey is SEHKQNPTBLABSE-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H21F3N2.ClH/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-18(19,20)21)23-10-8-22-9-11-23;/h2-7,17,22H,8-12H2,1H3;1H/t17-;/m0./s1.
What are the key properties of 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride?
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride has a molecular weight of 358.84 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171165950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).