1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride

C19H32Cl2N2O — CID 110183993

IUPAC1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride
SMILESCOc1ccccc1[NH+]1CC[NH+](CCC2CCCCC2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C19H30N2O.2ClH/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17;;/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3;2*1H
InChIKeyTVVUOGGAMGKYNW-UHFFFAOYSA-N
MW375.38 g/mol
LogP-4.91
Rot. Bonds5

About 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride

1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride (PubChem CID 110183993) has the molecular formula C19H32Cl2N2O and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride
PubChem CID110183993
Molecular FormulaC19H32Cl2N2O
Molecular Weight375.38 g/mol
Exact Mass374.19
IUPAC Name1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride
SMILESCOc1ccccc1[NH+]1CC[NH+](CCC2CCCCC2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C19H30N2O.2ClH/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17;;/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3;2*1H
InChIKeyTVVUOGGAMGKYNW-UHFFFAOYSA-N
XLogP-4.91
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 5-4.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[6-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazine-1,4-diium-1-yl]propoxy]hexoxy]-3-[4-(2-methoxyphenyl)piperazine-1,4-diium-1-yl]propan-2-ol tetrachloride
CID 110185993
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
1-[4-(2,6-dimethoxyphenoxy)butyl]piperidin-1-ium
CID 2262417
3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
CID 115838559
1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
CID 140989777
4-[(4-chlorophenyl)methyl]-2-[3-[4-(2-methoxyphenyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one dichloride
CID 110183550
CID 164898393
CID 164898393
3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one
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3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide
CID 122564875
[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol
CID 2223740

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride?
The IUPAC name of 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride (CID 110183993) is 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride is COc1ccccc1[NH+]1CC[NH+](CCC2CCCCC2)CC1.[Cl-].[Cl-].
What is the InChIKey of 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride?
The InChIKey is TVVUOGGAMGKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.2ClH/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17;;/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3;2*1H.
What are the key properties of 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride?
1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride has a molecular weight of 375.38 g/mol, XLogP of -4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-(2-methoxyphenyl)piperazine-1,4-diium dichloride is sourced from PubChem (CID 110183993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).