tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate

C17H31NO3 — CID 19602738

IUPACtert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COC2CCCCC2)CC1
InChIInChI=1S/C17H31NO3/c1-17(2,3)21-16(19)18-11-9-14(10-12-18)13-20-15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3
InChIKeyFNHWUENAPVPEFG-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate

tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate (PubChem CID 19602738) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
PubChem CID19602738
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COC2CCCCC2)CC1
InChIInChI=1S/C17H31NO3/c1-17(2,3)21-16(19)18-11-9-14(10-12-18)13-20-15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3
InChIKeyFNHWUENAPVPEFG-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-[[4-(hydroxymethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 176864103
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
tert-butyl 4-(piperidin-1-yloxymethyl)piperidine-1-carboxylate
CID 175363722
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
tert-butyl 2-(cyclohexyloxymethyl)pyrrolidine-1-carboxylate
CID 22001447
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
methylcyclohexane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 142873744
tert-butyl 2-(cyclohexylmethoxy)morpholine-4-carboxylate
CID 68561852
tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate (CID 19602738) is tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COC2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate?
The InChIKey is FNHWUENAPVPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-17(2,3)21-16(19)18-11-9-14(10-12-18)13-20-15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate?
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 19602738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).