2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid

C15H28N2O2 — CID 65419694

IUPAC2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
SMILESCN1CCN(C2(CC(=O)O)CCC(C)(C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(2)4-6-15(7-5-14,12-13(18)19)17-10-8-16(3)9-11-17/h4-12H2,1-3H3,(H,18,19)
InChIKeyNEXPSOGVDFHYOD-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.05
Rot. Bonds3

About 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid

2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid (PubChem CID 65419694) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
PubChem CID65419694
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
SMILESCN1CCN(C2(CC(=O)O)CCC(C)(C)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(2)4-6-15(7-5-14,12-13(18)19)17-10-8-16(3)9-11-17/h4-12H2,1-3H3,(H,18,19)
InChIKeyNEXPSOGVDFHYOD-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
ethyl 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421003
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141424
2-[3-methyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65421643
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
2-[4-(4-methylpiperazin-1-yl)-1-propylazepan-4-yl]acetic acid
CID 65422711
2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid
CID 107430404
2-[3-ethoxy-1-(4-methylpiperazin-1-yl)cyclobutyl]acetic acid
CID 106824241
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 103961374
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid (CID 65419694) is 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid is CN1CCN(C2(CC(=O)O)CCC(C)(C)CC2)CC1.
What is the InChIKey of 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid?
The InChIKey is NEXPSOGVDFHYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)4-6-15(7-5-14,12-13(18)19)17-10-8-16(3)9-11-17/h4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid?
2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid has a molecular weight of 268.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 65419694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).