1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol

C16H31NO — CID 153289881

IUPAC1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol
SMILESCC(C)(C)C1CC(O)(C2CC2)CCN1C(C)(C)C
InChIInChI=1S/C16H31NO/c1-14(2,3)13-11-16(18,12-7-8-12)9-10-17(13)15(4,5)6/h12-13,18H,7-11H2,1-6H3
InChIKeyOMCDRJAJEDAFSN-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds1

About 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol

1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol (PubChem CID 153289881) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol.

Molecular Properties

Compound Name1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol
PubChem CID153289881
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol
SMILESCC(C)(C)C1CC(O)(C2CC2)CCN1C(C)(C)C
InChIInChI=1S/C16H31NO/c1-14(2,3)13-11-16(18,12-7-8-12)9-10-17(13)15(4,5)6/h12-13,18H,7-11H2,1-6H3
InChIKeyOMCDRJAJEDAFSN-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine
CID 172515542
7,8-ditert-butyl-2-methyl-2,8-diazaspiro[4.5]decane
CID 172515504
3-tert-butyl-1-cyclopropylcyclobutan-1-ol
CID 153289697
(5S)-4,5-ditert-butyl-1-methyl-1,4-diazepane
CID 171587505
1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine
CID 160819870
2,3-ditert-butyl-2,8-diazaspiro[4.5]decane
CID 153440296
(5S)-4,5-ditert-butyl-1,4-thiazepane
CID 171587771
bis(1,2-ditert-butylpiperidine);1,2-ditert-butylpyrrolidine;ethane;methane;sulfane
CID 159802433
(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpyrrolidine;ethane
CID 163972140
1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol
CID 64749345
1-ethyl-4-(4-ethylcyclohexyl)piperidin-4-ol
CID 64749154
1,2-ditert-butyl-2-azaspiro[4.4]nonane
CID 176747897

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol?
The IUPAC name of 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol (CID 153289881) is 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol.
What is the SMILES notation for 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol?
The canonical SMILES for 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol is CC(C)(C)C1CC(O)(C2CC2)CCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol?
The InChIKey is OMCDRJAJEDAFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14(2,3)13-11-16(18,12-7-8-12)9-10-17(13)15(4,5)6/h12-13,18H,7-11H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol?
1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol is sourced from PubChem (CID 153289881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).