2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol

C15H31NO — CID 57290446

IUPAC2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol
SMILESCC(C)(C)C(CO)(N1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-13(2,3)15(12-17,14(4,5)6)16-10-8-7-9-11-16/h17H,7-12H2,1-6H3
InChIKeyAUFLSZDHEQIGIS-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.30
Rot. Bonds2

About 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol

2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol (PubChem CID 57290446) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol
PubChem CID57290446
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol
SMILESCC(C)(C)C(CO)(N1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-13(2,3)15(12-17,14(4,5)6)16-10-8-7-9-11-16/h17H,7-12H2,1-6H3
InChIKeyAUFLSZDHEQIGIS-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2-methylpropane-1,3-diol
CID 104550731
2,2,3-trimethyl-3-piperidin-1-ylbutan-1-ol
CID 20714163
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine
CID 155467667
2-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-ol
CID 54776185
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
2,4-dimethyl-4-piperidin-1-ylpentan-2-amine
CID 143013617
3-(azepan-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64796730
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839
3-(azocan-1-yl)-3-methylbutanoic acid
CID 164650523
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol (CID 57290446) is 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol is CC(C)(C)C(CO)(N1CCCCC1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol?
The InChIKey is AUFLSZDHEQIGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2,3)15(12-17,14(4,5)6)16-10-8-7-9-11-16/h17H,7-12H2,1-6H3.
What are the key properties of 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol?
2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-dimethyl-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 57290446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).