cyclohexylmethyl 4-methylpiperazine-1-carboxylate

C13H24N2O2 — CID 71187962

IUPACcyclohexylmethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCC2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-14-7-9-15(10-8-14)13(16)17-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3
InChIKeyWAZWYCAZDMWPHI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.95
Rot. Bonds2

About cyclohexylmethyl 4-methylpiperazine-1-carboxylate

cyclohexylmethyl 4-methylpiperazine-1-carboxylate (PubChem CID 71187962) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is cyclohexylmethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-methylpiperazine-1-carboxylate
PubChem CID71187962
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namecyclohexylmethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCC2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-14-7-9-15(10-8-14)13(16)17-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3
InChIKeyWAZWYCAZDMWPHI-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
cyclohexylmethyl 4-(5-amino-3-methyl-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 139017523
2-methoxyethyl 4-methylpiperazine-1-carboxylate
CID 90327658
2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 59618609
2-fluoroethyl 4-methylpiperazine-1-carboxylate
CID 90327680
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
cyclobutyl 4-methylpiperazine-1-carboxylate
CID 131024600
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
1-(cyclohexylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 42609004
cyclobutylmethyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356038
cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356040

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of cyclohexylmethyl 4-methylpiperazine-1-carboxylate (CID 71187962) is cyclohexylmethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OCC2CCCCC2)CC1.
What is the InChIKey of cyclohexylmethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is WAZWYCAZDMWPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-7-9-15(10-8-14)13(16)17-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3.
What are the key properties of cyclohexylmethyl 4-methylpiperazine-1-carboxylate?
cyclohexylmethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 71187962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).