3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C15H26N2O2 — CID 65419883

IUPAC3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCN1CCN(C2(C(=O)O)CCCC(C3CC3)C2)CC1
InChIInChI=1S/C15H26N2O2/c1-16-7-9-17(10-8-16)15(14(18)19)6-2-3-13(11-15)12-4-5-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyNRROPCMLQKFIAD-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.66
Rot. Bonds3

About 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid

3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 65419883) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID65419883
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCN1CCN(C2(C(=O)O)CCCC(C3CC3)C2)CC1
InChIInChI=1S/C15H26N2O2/c1-16-7-9-17(10-8-16)15(14(18)19)6-2-3-13(11-15)12-4-5-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyNRROPCMLQKFIAD-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 65419883) is 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid is CN1CCN(C2(C(=O)O)CCCC(C3CC3)C2)CC1.
What is the InChIKey of 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is NRROPCMLQKFIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16-7-9-17(10-8-16)15(14(18)19)6-2-3-13(11-15)12-4-5-12/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 266.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65419883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).