1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C22H33ClN4O — CID 120911827

IUPAC1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C22H32N4O.ClH/c1-25-12-11-24-22(25)21-15-23-10-13-26(21)16-19-8-5-9-20(14-19)27-17-18-6-3-2-4-7-18;/h5,8-9,11-12,14,18,21,23H,2-4,6-7,10,13,15-17H2,1H3;1H
InChIKeyHXNVERLHLLBSLB-UHFFFAOYSA-N
MW404.99 g/mol
LogP3.95
Rot. Bonds6

About 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120911827) has the molecular formula C22H33ClN4O and a molecular weight of 404.99 g/mol. Its IUPAC name is 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120911827
Molecular FormulaC22H33ClN4O
Molecular Weight404.99 g/mol
Exact Mass404.23
IUPAC Name1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C22H32N4O.ClH/c1-25-12-11-24-22(25)21-15-23-10-13-26(21)16-19-8-5-9-20(14-19)27-17-18-6-3-2-4-7-18;/h5,8-9,11-12,14,18,21,23H,2-4,6-7,10,13,15-17H2,1H3;1H
InChIKeyHXNVERLHLLBSLB-UHFFFAOYSA-N
XLogP3.95
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.99
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120912272
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911795
1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[(3-nitrophenyl)methyl]piperazine
CID 120870371
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120911827) is 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is HXNVERLHLLBSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O.ClH/c1-25-12-11-24-22(25)21-15-23-10-13-26(21)16-19-8-5-9-20(14-19)27-17-18-6-3-2-4-7-18;/h5,8-9,11-12,14,18,21,23H,2-4,6-7,10,13,15-17H2,1H3;1H.
What are the key properties of 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 404.99 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120911827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).