tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate

C17H32N2O2 — CID 22179860

IUPACtert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCC1(C)CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-10-6-14(7-11-19)18-12-8-17(4,5)9-13-18/h14H,6-13H2,1-5H3
InChIKeyADVPMQNTTPIAHK-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.51
Rot. Bonds1

About tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 22179860) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
PubChem CID22179860
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCC1(C)CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-10-6-14(7-11-19)18-12-8-17(4,5)9-13-18/h14H,6-13H2,1-5H3
InChIKeyADVPMQNTTPIAHK-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820
tert-butyl 4-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)piperidine-1-carboxylate
CID 67052687
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate
CID 146498263
tert-butyl 4-[(3R)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 34178457
tert-butyl 4-(1-cyclobutylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 86608801
tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 68969463

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate (CID 22179860) is tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate is CC1(C)CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is ADVPMQNTTPIAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)21-15(20)19-10-6-14(7-11-19)18-12-8-17(4,5)9-13-18/h14H,6-13H2,1-5H3.
What are the key properties of tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22179860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).