tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate

C15H29NO2 — CID 102268017

IUPACtert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1CC(C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-11-10-12(14(2,3)4)8-9-16(11)13(17)18-15(5,6)7/h11-12H,8-10H2,1-7H3/t11-,12?/m0/s1
InChIKeyLABFHTAJVLWYLX-PXYINDEMSA-N
MW255.40 g/mol
LogP4.07
Rot. Bonds

About tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate

tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate (PubChem CID 102268017) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
PubChem CID102268017
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1CC(C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-11-10-12(14(2,3)4)8-9-16(11)13(17)18-15(5,6)7/h11-12H,8-10H2,1-7H3/t11-,12?/m0/s1
InChIKeyLABFHTAJVLWYLX-PXYINDEMSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl (2R,4S)-4-ethynyl-2-methylpiperidine-1-carboxylate
CID 125425976
tert-butyl (2R)-4-cyano-2-methylpiperidine-1-carboxylate
CID 155905122
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
tert-butyl (2S,4S)-4-(4-hydroxyphenyl)-2-methylpiperidine-1-carboxylate
CID 101245812
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl (2R,4R)-4-(4-aminophenyl)-2-methylpiperidine-1-carboxylate
CID 97305072
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
1-O-tert-butyl 4-O-(chloromethyl) (2R,4S)-2-methylpiperidine-1,4-dicarboxylate
CID 165438815
tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate
CID 119029022

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate (CID 102268017) is tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate is C[C@H]1CC(C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate?
The InChIKey is LABFHTAJVLWYLX-PXYINDEMSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11-10-12(14(2,3)4)8-9-16(11)13(17)18-15(5,6)7/h11-12H,8-10H2,1-7H3/t11-,12?/m0/s1.
What are the key properties of tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate?
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 102268017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).