tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate

C17H32N2O2 — CID 175470666

IUPACtert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate
SMILESCC1CC[C@@H](C2CCCN(C)C2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-13-8-9-15(14-7-6-10-18(5)12-14)19(11-13)16(20)21-17(2,3)4/h13-15H,6-12H2,1-5H3/t13?,14?,15-/m0/s1
InChIKeyIQNIMCDFPPAGBR-NRXISQOPSA-N
MW296.45 g/mol
LogP3.36
Rot. Bonds1

About tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate

tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate (PubChem CID 175470666) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate
PubChem CID175470666
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate
SMILESCC1CC[C@@H](C2CCCN(C)C2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-13-8-9-15(14-7-6-10-18(5)12-14)19(11-13)16(20)21-17(2,3)4/h13-15H,6-12H2,1-5H3/t13?,14?,15-/m0/s1
InChIKeyIQNIMCDFPPAGBR-NRXISQOPSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,5S)-2-(1-acetylpiperidin-3-yl)-5-methylpiperidine-1-carboxylate
CID 164750456
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CID 83488482
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl (4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 155324247
tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate
CID 91798850
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid
CID 46856373
ditert-butyl 6-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine-1,4-dicarboxylate
CID 22609586
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-2-carboxylic acid
CID 84709488
tert-butyl 5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate
CID 130746814
tert-butyl (1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 95396702

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate (CID 175470666) is tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate is CC1CC[C@@H](C2CCCN(C)C2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate?
The InChIKey is IQNIMCDFPPAGBR-NRXISQOPSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-8-9-15(14-7-6-10-18(5)12-14)19(11-13)16(20)21-17(2,3)4/h13-15H,6-12H2,1-5H3/t13?,14?,15-/m0/s1.
What are the key properties of tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate?
tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 175470666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).