(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol

C11H23NO2 — CID 130802812

IUPAC(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(CCC(C)(C)O)C1
InChIInChI=1S/C11H23NO2/c1-9-6-10(13)8-12(7-9)5-4-11(2,3)14/h9-10,13-14H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyDVCFCDRZNIPDPB-ZJUUUORDSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds3

About (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol

(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol (PubChem CID 130802812) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
PubChem CID130802812
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(CCC(C)(C)O)C1
InChIInChI=1S/C11H23NO2/c1-9-6-10(13)8-12(7-9)5-4-11(2,3)14/h9-10,13-14H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyDVCFCDRZNIPDPB-ZJUUUORDSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloropropyl)-5-methylpiperidin-3-ol
CID 130943603
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol
CID 130802828
1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-3,3-dimethylbutan-2-one
CID 130856209
(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol
CID 130802863
1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
1-(3-hydroxy-3-methylbutyl)-4-methylpyrrolidine-3-carboxylic acid
CID 79356228
2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide
CID 130826332
1-amino-6-(3,5-dimethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818763

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol?
The IUPAC name of (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol (CID 130802812) is (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol?
The canonical SMILES for (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol is C[C@@H]1C[C@H](O)CN(CCC(C)(C)O)C1.
What is the InChIKey of (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol?
The InChIKey is DVCFCDRZNIPDPB-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-6-10(13)8-12(7-9)5-4-11(2,3)14/h9-10,13-14H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol?
(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 130802812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).