(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride

C13H20Cl2N2 — CID 120839112

IUPAC(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESCc1ccc(CN2CCNC[C@@H]2C)cc1Cl.Cl
InChIInChI=1S/C13H19ClN2.ClH/c1-10-3-4-12(7-13(10)14)9-16-6-5-15-8-11(16)2;/h3-4,7,11,15H,5-6,8-9H2,1-2H3;1H/t11-;/m0./s1
InChIKeyOGIVHDMEIIOHNT-MERQFXBCSA-N
MW275.22 g/mol
LogP2.86
Rot. Bonds2

About (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride

(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 120839112) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID120839112
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESCc1ccc(CN2CCNC[C@@H]2C)cc1Cl.Cl
InChIInChI=1S/C13H19ClN2.ClH/c1-10-3-4-12(7-13(10)14)9-16-6-5-15-8-11(16)2;/h3-4,7,11,15H,5-6,8-9H2,1-2H3;1H/t11-;/m0./s1
InChIKeyOGIVHDMEIIOHNT-MERQFXBCSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
(2R)-1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpiperazine
CID 95212131
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120837048
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride (CID 120839112) is (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride is Cc1ccc(CN2CCNC[C@@H]2C)cc1Cl.Cl.
What is the InChIKey of (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is OGIVHDMEIIOHNT-MERQFXBCSA-N. The full InChI is InChI=1S/C13H19ClN2.ClH/c1-10-3-4-12(7-13(10)14)9-16-6-5-15-8-11(16)2;/h3-4,7,11,15H,5-6,8-9H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride?
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 275.22 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120839112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).