1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine

C16H24Cl2N2 — CID 171310901

IUPAC1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C16H24Cl2N2/c1-12(2)6-7-15(20-10-8-19-9-11-20)13-4-3-5-14(17)16(13)18/h3-5,12,15,19H,6-11H2,1-2H3/t15-/m1/s1
InChIKeyNSOPDMOLKZRFGE-OAHLLOKOSA-N
MW315.29 g/mol
LogP4.38
Rot. Bonds5

About 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine

1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine (PubChem CID 171310901) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
PubChem CID171310901
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C16H24Cl2N2/c1-12(2)6-7-15(20-10-8-19-9-11-20)13-4-3-5-14(17)16(13)18/h3-5,12,15,19H,6-11H2,1-2H3/t15-/m1/s1
InChIKeyNSOPDMOLKZRFGE-OAHLLOKOSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2,3-dichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309076
1-[(1R)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303637
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286
1-[(1S)-4-methyl-1-(2,3,5-trichlorophenyl)pentyl]piperazine
CID 171310469
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1S)-1-(2,3-dichlorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277288
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
CID 171310107
1-[(1S)-1-(2-bromo-3-fluorophenyl)-4-methylpentyl]piperazine
CID 171310131
2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzonitrile
CID 171310787

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine (CID 171310901) is 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine is CC(C)CC[C@H](c1cccc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine?
The InChIKey is NSOPDMOLKZRFGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-12(2)6-7-15(20-10-8-19-9-11-20)13-4-3-5-14(17)16(13)18/h3-5,12,15,19H,6-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine?
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine has a molecular weight of 315.29 g/mol, XLogP of 4.38, 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-dichlorophenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).