1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride

C15H23Cl2FN2 — CID 171273249

IUPAC1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H21FN2.2ClH/c16-14-5-3-13(4-6-14)15(11-12-1-2-12)18-9-7-17-8-10-18;;/h3-6,12,15,17H,1-2,7-11H2;2*1H/t15-;;/m0../s1
InChIKeyPIRBOSHNTMLFFX-CKUXDGONSA-N
MW321.27 g/mol
LogP3.42
Rot. Bonds4

About 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171273249) has the molecular formula C15H23Cl2FN2 and a molecular weight of 321.27 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171273249
Molecular FormulaC15H23Cl2FN2
Molecular Weight321.27 g/mol
Exact Mass320.12
IUPAC Name1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H21FN2.2ClH/c16-14-5-3-13(4-6-14)15(11-12-1-2-12)18-9-7-17-8-10-18;;/h3-6,12,15,17H,1-2,7-11H2;2*1H/t15-;;/m0../s1
InChIKeyPIRBOSHNTMLFFX-CKUXDGONSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171287262
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168952
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride (CID 171273249) is 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc([C@H](CC2CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is PIRBOSHNTMLFFX-CKUXDGONSA-N. The full InChI is InChI=1S/C15H21FN2.2ClH/c16-14-5-3-13(4-6-14)15(11-12-1-2-12)18-9-7-17-8-10-18;;/h3-6,12,15,17H,1-2,7-11H2;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 321.27 g/mol, XLogP of 3.42, 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-(4-fluorophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).