(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine

C15H20N4 — CID 103885713

IUPAC(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
SMILESC[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1
InChIInChI=1S/C15H20N4/c1-13-10-18(8-7-17-13)11-14-2-4-15(5-3-14)19-9-6-16-12-19/h2-6,9,12-13,17H,7-8,10-11H2,1H3/t13-/m0/s1
InChIKeyJQZBHOURSFQTLO-ZDUSSCGKSA-N
MW256.35 g/mol
LogP1.67
Rot. Bonds3

About (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine

(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine (PubChem CID 103885713) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
PubChem CID103885713
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
SMILESC[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1
InChIInChI=1S/C15H20N4/c1-13-10-18(8-7-17-13)11-14-2-4-15(5-3-14)19-9-6-16-12-19/h2-6,9,12-13,17H,7-8,10-11H2,1H3/t13-/m0/s1
InChIKeyJQZBHOURSFQTLO-ZDUSSCGKSA-N
XLogP1.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
(2S)-1-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768736
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 56905482
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728732

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine?
The IUPAC name of (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine (CID 103885713) is (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine is C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1.
What is the InChIKey of (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine?
The InChIKey is JQZBHOURSFQTLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4/c1-13-10-18(8-7-17-13)11-14-2-4-15(5-3-14)19-9-6-16-12-19/h2-6,9,12-13,17H,7-8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine?
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine has a molecular weight of 256.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 103885713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).