1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine

C15H19Cl2FN2 — CID 171173184

IUPAC1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine
SMILESFc1ccc(Cl)c(Cl)c1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H19Cl2FN2/c16-11-3-4-12(18)14(15(11)17)13(9-10-1-2-10)20-7-5-19-6-8-20/h3-4,10,13,19H,1-2,5-9H2/t13-/m1/s1
InChIKeyWAENSFZQRLFALE-CYBMUJFWSA-N
MW317.24 g/mol
LogP3.88
Rot. Bonds4

About 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine

1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine (PubChem CID 171173184) has the molecular formula C15H19Cl2FN2 and a molecular weight of 317.24 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine
PubChem CID171173184
Molecular FormulaC15H19Cl2FN2
Molecular Weight317.24 g/mol
Exact Mass316.09
IUPAC Name1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine
SMILESFc1ccc(Cl)c(Cl)c1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H19Cl2FN2/c16-11-3-4-12(18)14(15(11)17)13(9-10-1-2-10)20-7-5-19-6-8-20/h3-4,10,13,19H,1-2,5-9H2/t13-/m1/s1
InChIKeyWAENSFZQRLFALE-CYBMUJFWSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171280216
1-[(1S)-2-cyclopropyl-1-(3,6-dichloro-2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171283788
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171274071
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)pent-4-enyl]piperazine
CID 171296385
1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986
1-[(1S)-1-(2,3-dichloro-6-fluorophenyl)butyl]piperazine;hydrochloride
CID 171167598
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
1-[(1S)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethyl]piperazine
CID 171166805
6-bromo-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol
CID 171300464
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(S)-cyclopentyl-(2,3-dichloro-6-fluorophenyl)methyl]piperazine;hydrochloride
CID 171167632

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine (CID 171173184) is 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine is Fc1ccc(Cl)c(Cl)c1[C@@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine?
The InChIKey is WAENSFZQRLFALE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19Cl2FN2/c16-11-3-4-12(18)14(15(11)17)13(9-10-1-2-10)20-7-5-19-6-8-20/h3-4,10,13,19H,1-2,5-9H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine?
1-[(1R)-2-cyclopropyl-1-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine has a molecular weight of 317.24 g/mol, XLogP of 3.88, 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-(2,3-dichloro-6-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 171173184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).