methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate

C14H25NO3 — CID 113330914

IUPACmethyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C1CCCC(OC)C1
InChIInChI=1S/C14H25NO3/c1-17-12-7-5-6-11(10-12)15-9-4-3-8-13(15)14(16)18-2/h11-13H,3-10H2,1-2H3
InChIKeyJUGLGLJMONRQFY-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.97
Rot. Bonds3

About methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate

methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate (PubChem CID 113330914) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate
PubChem CID113330914
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C1CCCC(OC)C1
InChIInChI=1S/C14H25NO3/c1-17-12-7-5-6-11(10-12)15-9-4-3-8-13(15)14(16)18-2/h11-13H,3-10H2,1-2H3
InChIKeyJUGLGLJMONRQFY-UHFFFAOYSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-1-(3-methoxycyclohexyl)pyrrolidine-2-carboxylate
CID 115537264
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate
CID 146329427
methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
CID 115537940
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid
CID 107072534
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate
CID 68891069
1-[1-(3-methoxycyclohexyl)piperidin-2-yl]propan-2-ol
CID 114338065
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
CID 170423315

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate (CID 113330914) is methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C1CCCC(OC)C1.
What is the InChIKey of methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate?
The InChIKey is JUGLGLJMONRQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-17-12-7-5-6-11(10-12)15-9-4-3-8-13(15)14(16)18-2/h11-13H,3-10H2,1-2H3.
What are the key properties of methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate?
methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate is sourced from PubChem (CID 113330914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).