(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol

C12H25NO2 — CID 11746013

IUPAC(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol
SMILESCC(C)(C)[C@@H](O)[C@@H](O)C[C@H]1CCCCN1
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(15)10(14)8-9-6-4-5-7-13-9/h9-11,13-15H,4-8H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyJVGKSQIJZFARHN-VWYCJHECSA-N
MW215.34 g/mol
LogP1.29
Rot. Bonds3

About (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol

(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol (PubChem CID 11746013) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol
PubChem CID11746013
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol
SMILESCC(C)(C)[C@@H](O)[C@@H](O)C[C@H]1CCCCN1
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(15)10(14)8-9-6-4-5-7-13-9/h9-11,13-15H,4-8H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyJVGKSQIJZFARHN-VWYCJHECSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
3,3-diphenyl-1-piperidin-2-ylbutan-2-ol
CID 22237347
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
1-(azetidin-2-yl)-3-methylbutan-2-ol
CID 105428563
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
1-piperidin-2-ylheptan-2-ol
CID 14021662
1-piperidin-2-ylpropan-2-yl formate
CID 175103047
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol?
The IUPAC name of (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol (CID 11746013) is (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol.
What is the SMILES notation for (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol?
The canonical SMILES for (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol is CC(C)(C)[C@@H](O)[C@@H](O)C[C@H]1CCCCN1.
What is the InChIKey of (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol?
The InChIKey is JVGKSQIJZFARHN-VWYCJHECSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)11(15)10(14)8-9-6-4-5-7-13-9/h9-11,13-15H,4-8H2,1-3H3/t9-,10+,11+/m1/s1.
What are the key properties of (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol?
(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol has a molecular weight of 215.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol is sourced from PubChem (CID 11746013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).