1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine

C16H23FN2 — CID 171169448

IUPAC1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
SMILESCc1c(F)cccc1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C16H23FN2/c1-12-14(3-2-4-15(12)17)16(11-13-5-6-13)19-9-7-18-8-10-19/h2-4,13,16,18H,5-11H2,1H3/t16-/m1/s1
InChIKeyOPQNKQJOBJMBCC-MRXNPFEDSA-N
MW262.37 g/mol
LogP2.88
Rot. Bonds4

About 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine

1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine (PubChem CID 171169448) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
PubChem CID171169448
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
SMILESCc1c(F)cccc1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C16H23FN2/c1-12-14(3-2-4-15(12)17)16(11-13-5-6-13)19-9-7-18-8-10-19/h2-4,13,16,18H,5-11H2,1H3/t16-/m1/s1
InChIKeyOPQNKQJOBJMBCC-MRXNPFEDSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
1-[(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171172358
(3S)-3-(3-fluoro-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171174280
1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine
CID 171276795
(3S)-3-(3-fluoro-2-methylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306004
1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276706
1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171163632
1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171165589
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine (CID 171169448) is 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine is Cc1c(F)cccc1[C@@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine?
The InChIKey is OPQNKQJOBJMBCC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12-14(3-2-4-15(12)17)16(11-13-5-6-13)19-9-7-18-8-10-19/h2-4,13,16,18H,5-11H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine?
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine has a molecular weight of 262.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 171169448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).