(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine

C13H19ClN2 — CID 71174749

IUPAC(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
SMILESC[C@@H]1CN[C@@H](C)CN1Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-8-16(11(2)7-15-10)9-12-4-3-5-13(14)6-12/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyZOKRHKPCSSIUBN-WDEREUQCSA-N
MW238.76 g/mol
LogP2.52
Rot. Bonds2

About (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine

(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 71174749) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
PubChem CID71174749
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
SMILESC[C@@H]1CN[C@@H](C)CN1Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-8-16(11(2)7-15-10)9-12-4-3-5-13(14)6-12/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyZOKRHKPCSSIUBN-WDEREUQCSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
tert-butyl (2R,5S)-4-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine-1-carboxylate;(2S,5R)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 159208341
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
CID 120906410
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
1-[(3-chlorophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870253
2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 120905897
1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
CID 64979055
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
(1S,4R)-2-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 7171836
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine (CID 71174749) is (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine is C[C@@H]1CN[C@@H](C)CN1Cc1cccc(Cl)c1.
What is the InChIKey of (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is ZOKRHKPCSSIUBN-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-8-16(11(2)7-15-10)9-12-4-3-5-13(14)6-12/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine?
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 71174749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).