2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate

C15H27NO3 — CID 170530031

IUPAC2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)OC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-15(2,18-13-9-5-3-6-10-13)19-14(17)16-11-7-4-8-12-16/h13H,3-12H2,1-2H3
InChIKeyGWNOSHGIBILFGJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.69
Rot. Bonds3

About 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate

2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate (PubChem CID 170530031) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
PubChem CID170530031
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)OC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-15(2,18-13-9-5-3-6-10-13)19-14(17)16-11-7-4-8-12-16/h13H,3-12H2,1-2H3
InChIKeyGWNOSHGIBILFGJ-UHFFFAOYSA-N
XLogP3.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
2-propan-2-yloxypropan-2-yl piperidine-1-carboxylate
CID 170530123
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632
tert-butyl 3-acetyloxyazepane-1-carboxylate
CID 162415739
(1-amino-1-fluoroethyl) piperidine-1-carboxylate
CID 156636522
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl 7-nonyl-azacyclododecane-1-carboxylate
CID 139299125
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
[(2-methylpropan-2-yl)oxycarbonylamino] azepane-1-carboxylate
CID 175316788
tert-butyl 3-iodoazocane-1-carboxylate
CID 170622521

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate?
The IUPAC name of 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate (CID 170530031) is 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate.
What is the SMILES notation for 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate?
The canonical SMILES for 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate is CC(C)(OC(=O)N1CCCCC1)OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate?
The InChIKey is GWNOSHGIBILFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,18-13-9-5-3-6-10-13)19-14(17)16-11-7-4-8-12-16/h13H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate?
2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 170530031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).