1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride

C16H26ClFN2 — CID 171182372

IUPAC1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
SMILESCC(C)(C)c1ccc([C@H](CF)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-16(2,3)14-6-4-13(5-7-14)15(12-17)19-10-8-18-9-11-19;/h4-7,15,18H,8-12H2,1-3H3;1H/t15-;/m0./s1
InChIKeyZJAWFDLQOLRYCV-RSAXXLAASA-N
MW300.85 g/mol
LogP3.32
Rot. Bonds3

About 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride

1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride (PubChem CID 171182372) has the molecular formula C16H26ClFN2 and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
PubChem CID171182372
Molecular FormulaC16H26ClFN2
Molecular Weight300.85 g/mol
Exact Mass300.18
IUPAC Name1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
SMILESCC(C)(C)c1ccc([C@H](CF)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-16(2,3)14-6-4-13(5-7-14)15(12-17)19-10-8-18-9-11-19;/h4-7,15,18H,8-12H2,1-3H3;1H/t15-;/m0./s1
InChIKeyZJAWFDLQOLRYCV-RSAXXLAASA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
1-[(1R)-2-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperazine;dihydrochloride
CID 171283231
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride (CID 171182372) is 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride is CC(C)(C)c1ccc([C@H](CF)N2CCNCC2)cc1.Cl.
What is the InChIKey of 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The InChIKey is ZJAWFDLQOLRYCV-RSAXXLAASA-N. The full InChI is InChI=1S/C16H25FN2.ClH/c1-16(2,3)14-6-4-13(5-7-14)15(12-17)19-10-8-18-9-11-19;/h4-7,15,18H,8-12H2,1-3H3;1H/t15-;/m0./s1.
What are the key properties of 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride is sourced from PubChem (CID 171182372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).