[(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol

C8H15NO — CID 89335431

IUPAC[(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol
SMILESCC1=CN[C@H](CO)[C@H](C)C1
InChIInChI=1S/C8H15NO/c1-6-3-7(2)8(5-10)9-4-6/h4,7-10H,3,5H2,1-2H3/t7-,8-/m1/s1
InChIKeyJTADJBYVDJFQQG-HTQZYQBOSA-N
MW141.21 g/mol
LogP0.88
Rot. Bonds1

About [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol

[(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol (PubChem CID 89335431) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol
PubChem CID89335431
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol
SMILESCC1=CN[C@H](CO)[C@H](C)C1
InChIInChI=1S/C8H15NO/c1-6-3-7(2)8(5-10)9-4-6/h4,7-10H,3,5H2,1-2H3/t7-,8-/m1/s1
InChIKeyJTADJBYVDJFQQG-HTQZYQBOSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol (CID 89335431) is [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol is CC1=CN[C@H](CO)[C@H](C)C1.
What is the InChIKey of [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol?
The InChIKey is JTADJBYVDJFQQG-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-3-7(2)8(5-10)9-4-6/h4,7-10H,3,5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol?
[(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol is sourced from PubChem (CID 89335431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).