tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate

C17H31NO3 — CID 102268021

IUPACtert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)C1CCCCC1
InChIInChI=1S/C17H31NO3/c1-17(2,3)21-16(20)18-12-8-7-11-14(18)15(19)13-9-5-4-6-10-13/h13-15,19H,4-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyMYNKMNFJQHKLLF-GJZGRUSLSA-N
MW297.44 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate (PubChem CID 102268021) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
PubChem CID102268021
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nametert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)C1CCCCC1
InChIInChI=1S/C17H31NO3/c1-17(2,3)21-16(20)18-12-8-7-11-14(18)15(19)13-9-5-4-6-10-13/h13-15,19H,4-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyMYNKMNFJQHKLLF-GJZGRUSLSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl (2S)-2-(cyclobutanecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[cyclobutyl(hydroxy)methyl]pyrrolidine-1-carboxylate;sulfane
CID 167539750
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
CID 102537940
2-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-2-yl]acetic acid
CID 83668029
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
tert-butyl (2R)-2-[(1R)-1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 97174920
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate
CID 57022513

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate (CID 102268021) is tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)C1CCCCC1.
What is the InChIKey of tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate?
The InChIKey is MYNKMNFJQHKLLF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H31NO3/c1-17(2,3)21-16(20)18-12-8-7-11-14(18)15(19)13-9-5-4-6-10-13/h13-15,19H,4-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 102268021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).