1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride

C15H21ClF2N2 — CID 171164206

IUPAC1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(F)c([C@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H20F2N2.ClH/c16-12-3-4-14(17)13(10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m0./s1
InChIKeyPYCBPAFVIUVVBG-RSAXXLAASA-N
MW302.80 g/mol
LogP3.13
Rot. Bonds4

About 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride

1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride (PubChem CID 171164206) has the molecular formula C15H21ClF2N2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
PubChem CID171164206
Molecular FormulaC15H21ClF2N2
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(F)c([C@H](CC2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H20F2N2.ClH/c16-12-3-4-14(17)13(10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m0./s1
InChIKeyPYCBPAFVIUVVBG-RSAXXLAASA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174342
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(R)-cyclopropyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289674
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine;hydrochloride
CID 171169982
1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171163632
1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171163073
1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277062
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride (CID 171164206) is 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride is Cl.Fc1ccc(F)c([C@H](CC2CC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride?
The InChIKey is PYCBPAFVIUVVBG-RSAXXLAASA-N. The full InChI is InChI=1S/C15H20F2N2.ClH/c16-12-3-4-14(17)13(10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride?
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 3.13, 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-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171164206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).