(3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine

C10H16Cl2N4 — CID 103885718

IUPAC(3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine
SMILESC[C@H]1CN(Cc2c(Cl)nc(Cl)n2C)CCN1
InChIInChI=1S/C10H16Cl2N4/c1-7-5-16(4-3-13-7)6-8-9(11)14-10(12)15(8)2/h7,13H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyWXZPRVZZVPTFJH-ZETCQYMHSA-N
MW263.17 g/mol
LogP1.52
Rot. Bonds2

About (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine

(3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine (PubChem CID 103885718) has the molecular formula C10H16Cl2N4 and a molecular weight of 263.17 g/mol. Its IUPAC name is (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine
PubChem CID103885718
Molecular FormulaC10H16Cl2N4
Molecular Weight263.17 g/mol
Exact Mass262.08
IUPAC Name(3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine
SMILESC[C@H]1CN(Cc2c(Cl)nc(Cl)n2C)CCN1
InChIInChI=1S/C10H16Cl2N4/c1-7-5-16(4-3-13-7)6-8-9(11)14-10(12)15(8)2/h7,13H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyWXZPRVZZVPTFJH-ZETCQYMHSA-N
XLogP1.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3R)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperazine
CID 104975402
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 104977266
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine?
The IUPAC name of (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine (CID 103885718) is (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine?
The canonical SMILES for (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine is C[C@H]1CN(Cc2c(Cl)nc(Cl)n2C)CCN1.
What is the InChIKey of (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine?
The InChIKey is WXZPRVZZVPTFJH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16Cl2N4/c1-7-5-16(4-3-13-7)6-8-9(11)14-10(12)15(8)2/h7,13H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine?
(3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine has a molecular weight of 263.17 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 103885718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).