1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride

C16H24ClFN2 — CID 171163632

IUPAC1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
SMILESCc1ccc([C@H](CC2CC2)N2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C16H23FN2.ClH/c1-12-2-5-14(15(17)10-12)16(11-13-3-4-13)19-8-6-18-7-9-19;/h2,5,10,13,16,18H,3-4,6-9,11H2,1H3;1H/t16-;/m0./s1
InChIKeyHBKDPJXUAAQXKY-NTISSMGPSA-N
MW298.83 g/mol
LogP3.30
Rot. Bonds4

About 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride

1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171163632) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
PubChem CID171163632
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
SMILESCc1ccc([C@H](CC2CC2)N2CCNCC2)c(F)c1.Cl
InChIInChI=1S/C16H23FN2.ClH/c1-12-2-5-14(15(17)10-12)16(11-13-3-4-13)19-8-6-18-7-9-19;/h2,5,10,13,16,18H,3-4,6-9,11H2,1H3;1H/t16-;/m0./s1
InChIKeyHBKDPJXUAAQXKY-NTISSMGPSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-fluoro-4-methylphenol;dihydrochloride
CID 171300705
1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171163073
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol
CID 171162953
1-[(1S)-1-(2-bromo-4-methylphenyl)-2-cyclopropylethyl]piperazine
CID 171275502
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-4-methylphenol;dihydrochloride
CID 171288275
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448
1-[(1R)-2-cyclopropyl-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171296703
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
6-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2-fluoro-3-methylphenol
CID 171297905
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-5-fluoro-4-hydroxybenzonitrile;dihydrochloride
CID 171301305

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride (CID 171163632) is 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride is Cc1ccc([C@H](CC2CC2)N2CCNCC2)c(F)c1.Cl.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is HBKDPJXUAAQXKY-NTISSMGPSA-N. The full InChI is InChI=1S/C16H23FN2.ClH/c1-12-2-5-14(15(17)10-12)16(11-13-3-4-13)19-8-6-18-7-9-19;/h2,5,10,13,16,18H,3-4,6-9,11H2,1H3;1H/t16-;/m0./s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride?
1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 298.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171163632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).