(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane

C12H27NO — CID 161248171

IUPAC(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
SMILESCC.C[C@H]1CCN(C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C10H21NO.C2H6/c1-8-5-6-11(7-9(8)12)10(2,3)4;1-2/h8-9,12H,5-7H2,1-4H3;1-2H3/t8-,9-;/m0./s1
InChIKeyVAXIFGLTFMZAKU-OZZZDHQUSA-N
MW201.35 g/mol
LogP2.51
Rot. Bonds

About (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane

(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane (PubChem CID 161248171) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane.

Molecular Properties

Compound Name(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
PubChem CID161248171
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
SMILESCC.C[C@H]1CCN(C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C10H21NO.C2H6/c1-8-5-6-11(7-9(8)12)10(2,3)4;1-2/h8-9,12H,5-7H2,1-4H3;1-2H3/t8-,9-;/m0./s1
InChIKeyVAXIFGLTFMZAKU-OZZZDHQUSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-methylpyrrolidin-3-ol
CID 58311491
1-tert-butyl-4-ethylpiperidin-3-ol
CID 146520403
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
CID 177116525
1,4-ditert-butyl-3-(trifluoromethyl)piperidine
CID 170677204
(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581981
1-tert-butylazocan-5-ol
CID 137410769
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane?
The IUPAC name of (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane (CID 161248171) is (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane.
What is the SMILES notation for (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane?
The canonical SMILES for (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane is CC.C[C@H]1CCN(C(C)(C)C)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane?
The InChIKey is VAXIFGLTFMZAKU-OZZZDHQUSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-8-5-6-11(7-9(8)12)10(2,3)4;1-2/h8-9,12H,5-7H2,1-4H3;1-2H3/t8-,9-;/m0./s1.
What are the key properties of (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane?
(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane has a molecular weight of 201.35 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane is sourced from PubChem (CID 161248171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).