2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride

C17H25ClN4 — CID 120911731

IUPAC2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
SMILESCC(CN1CCNCC1c1nccn1C)c1ccccc1.Cl
InChIInChI=1S/C17H24N4.ClH/c1-14(15-6-4-3-5-7-15)13-21-11-8-18-12-16(21)17-19-9-10-20(17)2;/h3-7,9-10,14,16,18H,8,11-13H2,1-2H3;1H
InChIKeyOIGHDDLNMRXWMC-UHFFFAOYSA-N
MW320.87 g/mol
LogP2.59
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride

2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride (PubChem CID 120911731) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
PubChem CID120911731
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
SMILESCC(CN1CCNCC1c1nccn1C)c1ccccc1.Cl
InChIInChI=1S/C17H24N4.ClH/c1-14(15-6-4-3-5-7-15)13-21-11-8-18-12-16(21)17-19-9-10-20(17)2;/h3-7,9-10,14,16,18H,8,11-13H2,1-2H3;1H
InChIKeyOIGHDDLNMRXWMC-UHFFFAOYSA-N
XLogP2.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120869985
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 120870751
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 120869705
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120839154
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 120870731
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
(2S)-2-methyl-1-[(2R)-2-phenylpropyl]piperazine
CID 96906178

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride (CID 120911731) is 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride is CC(CN1CCNCC1c1nccn1C)c1ccccc1.Cl.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride?
The InChIKey is OIGHDDLNMRXWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.ClH/c1-14(15-6-4-3-5-7-15)13-21-11-8-18-12-16(21)17-19-9-10-20(17)2;/h3-7,9-10,14,16,18H,8,11-13H2,1-2H3;1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride?
2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride is sourced from PubChem (CID 120911731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).