methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate

C16H29NO3 — CID 178134234

IUPACmethyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(C[C@H]2CCCO2)CNC[C@H](C(C)(C)C)C1
InChIInChI=1S/C16H29NO3/c1-15(2,3)12-8-16(11-17-10-12,14(18)19-4)9-13-6-5-7-20-13/h12-13,17H,5-11H2,1-4H3/t12-,13-,16+/m1/s1
InChIKeyJHDWHWAEPQRPKA-IOASZLSFSA-N
MW283.41 g/mol
LogP2.37
Rot. Bonds3

About methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate

methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate (PubChem CID 178134234) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate
PubChem CID178134234
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(C[C@H]2CCCO2)CNC[C@H](C(C)(C)C)C1
InChIInChI=1S/C16H29NO3/c1-15(2,3)12-8-16(11-17-10-12,14(18)19-4)9-13-6-5-7-20-13/h12-13,17H,5-11H2,1-4H3/t12-,13-,16+/m1/s1
InChIKeyJHDWHWAEPQRPKA-IOASZLSFSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate with MolForge

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Related Compounds

methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate
CID 178133241
methyl 4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
CID 61243560
N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031722
methyl 4-methyl-1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 65085366
4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 65161890
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
methyl 4-tert-butyl-1-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118380454
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate (CID 178134234) is methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate is COC(=O)[C@@]1(C[C@H]2CCCO2)CNC[C@H](C(C)(C)C)C1.
What is the InChIKey of methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate?
The InChIKey is JHDWHWAEPQRPKA-IOASZLSFSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)12-8-16(11-17-10-12,14(18)19-4)9-13-6-5-7-20-13/h12-13,17H,5-11H2,1-4H3/t12-,13-,16+/m1/s1.
What are the key properties of methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate?
methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate is sourced from PubChem (CID 178134234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).