1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride

C19H28Cl2N2 — CID 130277568

IUPAC1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride
SMILESCC1(C)CCC(CN2CCNCC2)=C(c2ccc(Cl)cc2)C1.[Cl-].[H+]
InChIInChI=1S/C19H27ClN2.ClH/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15;/h3-6,21H,7-14H2,1-2H3;1H
InChIKeyNRMARNSPIXWGDD-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.33
Rot. Bonds3

About 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride

1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride (PubChem CID 130277568) has the molecular formula C19H28Cl2N2 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride
PubChem CID130277568
Molecular FormulaC19H28Cl2N2
Molecular Weight355.35 g/mol
Exact Mass354.16
IUPAC Name1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride
SMILESCC1(C)CCC(CN2CCNCC2)=C(c2ccc(Cl)cc2)C1.[Cl-].[H+]
InChIInChI=1S/C19H27ClN2.ClH/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15;/h3-6,21H,7-14H2,1-2H3;1H
InChIKeyNRMARNSPIXWGDD-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine
CID 141314202
(2S)-1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2-methylpiperazine
CID 124565284
3-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 170784611
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzenesulfinate
CID 166818013
4-[(2S)-2-bromo-4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid
CID 146404152
5-[5,5-dimethyl-2-(piperazin-1-ylmethyl)cyclohexen-1-yl]-1,3-oxazole
CID 176882079
methyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-hydroxybenzoate
CID 170329367
1-[[2-(4-fluorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3-(trifluoromethyl)piperazine
CID 176882078
methyl 2-bromo-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoate
CID 67227206
5-[3-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]phenoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146258952
1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 89498342
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-[2-(hydroxymethyl)phenoxy]-4-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 170330393

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride?
The IUPAC name of 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride (CID 130277568) is 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride is CC1(C)CCC(CN2CCNCC2)=C(c2ccc(Cl)cc2)C1.[Cl-].[H+].
What is the InChIKey of 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride?
The InChIKey is NRMARNSPIXWGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2.ClH/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15;/h3-6,21H,7-14H2,1-2H3;1H.
What are the key properties of 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride?
1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride has a molecular weight of 355.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride is sourced from PubChem (CID 130277568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).