tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate

C17H31NO3 — CID 11000987

IUPACtert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(C2CCCCC2)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)21-15(20)18-11-9-17(13-19,10-12-18)14-7-5-4-6-8-14/h14,19H,4-13H2,1-3H3
InChIKeyMCWICGADBUTRHW-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 11000987) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID11000987
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(C2CCCCC2)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)21-15(20)18-11-9-17(13-19,10-12-18)14-7-5-4-6-8-14/h14,19H,4-13H2,1-3H3
InChIKeyMCWICGADBUTRHW-UHFFFAOYSA-N
XLogP3.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 2784670
tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 10421352
Tert-butyl 4-(5-hydroxypentyl)piperidine-1-carboxylate
CID 21835183
tert-Butyl (3S)-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 25417881
tert-Butyl (3R)-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 40425180
1-Boc-4-(4-hydroxy-2-butyl)piperidine
CID 59234008
tert-Butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate
CID 66701044
Tert-butyl 10-(hydroxymethyl)-7-azaspiro[4.5]decane-7-carboxylate
CID 165142103
Tert-butyl 3-cyclopentyl-4-hydroxypiperidine-1-carboxylate
CID 83825984
Tert-butyl 4-fluoro-4-(5-hydroxypentyl)piperidine-1-carboxylate
CID 21835155
tert-butyl (3S,4S)-4-(4-fluorocyclohexyl)-3,4-dihydroxypiperidine-1-carboxylate
CID 143401935
Tert-butyl 4-(hydroxymethyl)-4-(4,4,4-trifluorobutyl)piperidine-1-carboxylate;[1-(4,4,4-trifluorobutyl)cyclohexyl]methanol
CID 159400945

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate (CID 11000987) is tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CO)(C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is MCWICGADBUTRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2,3)21-15(20)18-11-9-17(13-19,10-12-18)14-7-5-4-6-8-14/h14,19H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11000987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).