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

C16H23Cl2FN2 — CID 171173226

IUPAC1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C16H23Cl2FN2/c1-3-4-11(2)16(21-9-7-20-8-10-21)14-13(19)6-5-12(17)15(14)18/h5-6,11,16,20H,3-4,7-10H2,1-2H3/t11?,16-/m1/s1
InChIKeyDKVYIFBJCAEPFV-WVQRXBFSSA-N
MW333.28 g/mol
LogP4.51
Rot. Bonds5

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

1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine (PubChem CID 171173226) has the molecular formula C16H23Cl2FN2 and a molecular weight of 333.28 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine
PubChem CID171173226
Molecular FormulaC16H23Cl2FN2
Molecular Weight333.28 g/mol
Exact Mass332.12
IUPAC Name1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C16H23Cl2FN2/c1-3-4-11(2)16(21-9-7-20-8-10-21)14-13(19)6-5-12(17)15(14)18/h5-6,11,16,20H,3-4,7-10H2,1-2H3/t11?,16-/m1/s1
InChIKeyDKVYIFBJCAEPFV-WVQRXBFSSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine
CID 171171865
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171166423
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-[(1S)-1-(2,3-dichloro-6-fluorophenyl)butyl]piperazine;hydrochloride
CID 171167598
1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
CID 171171538
1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
CID 171169865
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
CID 171170472
1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171165396
1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171169689
1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171171899
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171166477
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171167614

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine (CID 171173226) is 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine is CCCC(C)[C@H](c1c(F)ccc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine?
The InChIKey is DKVYIFBJCAEPFV-WVQRXBFSSA-N. The full InChI is InChI=1S/C16H23Cl2FN2/c1-3-4-11(2)16(21-9-7-20-8-10-21)14-13(19)6-5-12(17)15(14)18/h5-6,11,16,20H,3-4,7-10H2,1-2H3/t11?,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine?
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine has a molecular weight of 333.28 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine is sourced from PubChem (CID 171173226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).