tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate

C17H31NO3 — CID 22492894

IUPACtert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate
SMILESCOC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)21-15(19)18-12-10-17(20-4,11-13-18)14-8-6-5-7-9-14/h14H,5-13H2,1-4H3
InChIKeyQPPVCOYYJQNDKB-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.98
Rot. Bonds2

About tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate (PubChem CID 22492894) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate
PubChem CID22492894
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate
SMILESCOC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)21-15(19)18-12-10-17(20-4,11-13-18)14-8-6-5-7-9-14/h14H,5-13H2,1-4H3
InChIKeyQPPVCOYYJQNDKB-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 21018689
tert-butyl 4-[cyclohexyl(methyl)amino]-4-methylpiperidine-1-carboxylate
CID 121418665
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 58602432
tert-butyl 4-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 84801090
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-cyclohexyl-4-[(1-hydroxypropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 20743550
azane;tert-butyl piperidine-1-carboxylate
CID 134583959

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate (CID 22492894) is tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate is COC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate?
The InChIKey is QPPVCOYYJQNDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2,3)21-15(19)18-12-10-17(20-4,11-13-18)14-8-6-5-7-9-14/h14H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 22492894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).