1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine

C15H31N3 — CID 117019904

IUPAC1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine
SMILESCC(C)(C)N1CCCC(N2CCNCC2)C1(C)C
InChIInChI=1S/C15H31N3/c1-14(2,3)18-10-6-7-13(15(18,4)5)17-11-8-16-9-12-17/h13,16H,6-12H2,1-5H3
InChIKeyFJVBGMJOSRMATH-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds1

About 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine

1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine (PubChem CID 117019904) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine
PubChem CID117019904
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine
SMILESCC(C)(C)N1CCCC(N2CCNCC2)C1(C)C
InChIInChI=1S/C15H31N3/c1-14(2,3)18-10-6-7-13(15(18,4)5)17-11-8-16-9-12-17/h13,16H,6-12H2,1-5H3
InChIKeyFJVBGMJOSRMATH-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017868
1-(1-cyclopropyl-4,4-dimethylpiperidin-3-yl)piperazine
CID 117025945
1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 115268920
1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid
CID 175786910
(3R)-1-tert-butyl-2,2-dimethylpyrrolidin-3-ol
CID 168820539
1-cyclopentylpiperazine;ethane
CID 143559542
1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 115268922
1-(1-tert-butylpyrrolidin-3-yl)-1,4-diazepane
CID 117004540
1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine
CID 114235704
1-tert-butyl-N,2,2-trimethylpyrrolidin-3-amine
CID 117017087
1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide
CID 70110667
1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
CID 95913076

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine?
The IUPAC name of 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine (CID 117019904) is 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine.
What is the SMILES notation for 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine?
The canonical SMILES for 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine is CC(C)(C)N1CCCC(N2CCNCC2)C1(C)C.
What is the InChIKey of 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine?
The InChIKey is FJVBGMJOSRMATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2,3)18-10-6-7-13(15(18,4)5)17-11-8-16-9-12-17/h13,16H,6-12H2,1-5H3.
What are the key properties of 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine?
1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine is sourced from PubChem (CID 117019904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).