tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate

C18H33NO3 — CID 21018689

IUPACtert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCO)(C2CCCCC2)CC1
InChIInChI=1S/C18H33NO3/c1-17(2,3)22-16(21)19-12-9-18(10-13-19,11-14-20)15-7-5-4-6-8-15/h15,20H,4-14H2,1-3H3
InChIKeyRAQOTQBCMGBDIA-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 21018689) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID21018689
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Nametert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCO)(C2CCCCC2)CC1
InChIInChI=1S/C18H33NO3/c1-17(2,3)22-16(21)19-12-9-18(10-13-19,11-14-20)15-7-5-4-6-8-15/h15,20H,4-14H2,1-3H3
InChIKeyRAQOTQBCMGBDIA-UHFFFAOYSA-N
XLogP3.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 58602432
tert-butyl 4-cyclohexyl-4-[(1-hydroxypropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 20743550
tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate
CID 22492894
tert-butyl 4-[(4-chlorobutanoylamino)methyl]-4-cyclohexylpiperidine-1-carboxylate
CID 21018694
tert-butyl 4-(azidomethyl)-4-cyclohexylpiperidine-1-carboxylate;tert-butyl 4-cyclohexyl-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 161480996
tert-butyl 4-[cyclohexyl(methyl)amino]-4-methylpiperidine-1-carboxylate
CID 121418665
tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 83825953
tert-butyl 4-(2-hydroxyethyl)-4-isocyanopiperidine-1-carboxylate
CID 88867098
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
CID 107254396

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate (CID 21018689) is tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCO)(C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is RAQOTQBCMGBDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-17(2,3)22-16(21)19-12-9-18(10-13-19,11-14-20)15-7-5-4-6-8-15/h15,20H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 3.97, 3 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-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 21018689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).