(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride

C14H24Cl2N2 — CID 154574727

IUPAC(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
SMILESCc1ccc(C[C@H]2CNCCN2C)cc1C.Cl.Cl
InChIInChI=1S/C14H22N2.2ClH/c1-11-4-5-13(8-12(11)2)9-14-10-15-6-7-16(14)3;;/h4-5,8,14-15H,6-7,9-10H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyIKVRHZODKCDUMS-UTLKBRERSA-N
MW291.27 g/mol
LogP2.59
Rot. Bonds2

About (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride

(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride (PubChem CID 154574727) has the molecular formula C14H24Cl2N2 and a molecular weight of 291.27 g/mol. Its IUPAC name is (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
PubChem CID154574727
Molecular FormulaC14H24Cl2N2
Molecular Weight291.27 g/mol
Exact Mass290.13
IUPAC Name(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
SMILESCc1ccc(C[C@H]2CNCCN2C)cc1C.Cl.Cl
InChIInChI=1S/C14H22N2.2ClH/c1-11-4-5-13(8-12(11)2)9-14-10-15-6-7-16(14)3;;/h4-5,8,14-15H,6-7,9-10H2,1-3H3;2*1H/t14-;;/m0../s1
InChIKeyIKVRHZODKCDUMS-UTLKBRERSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
CID 116996446
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
CID 116928083
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
(3,5-dichlorophenyl)-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 22342799

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride?
The IUPAC name of (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride (CID 154574727) is (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride.
What is the SMILES notation for (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride?
The canonical SMILES for (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride is Cc1ccc(C[C@H]2CNCCN2C)cc1C.Cl.Cl.
What is the InChIKey of (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride?
The InChIKey is IKVRHZODKCDUMS-UTLKBRERSA-N. The full InChI is InChI=1S/C14H22N2.2ClH/c1-11-4-5-13(8-12(11)2)9-14-10-15-6-7-16(14)3;;/h4-5,8,14-15H,6-7,9-10H2,1-3H3;2*1H/t14-;;/m0../s1.
What are the key properties of (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride?
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride has a molecular weight of 291.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride is sourced from PubChem (CID 154574727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).