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

C8H15NO — CID 89014166

IUPAC[(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol
SMILESCCC1=CN[C@H](CO)CC1
InChIInChI=1S/C8H15NO/c1-2-7-3-4-8(6-10)9-5-7/h5,8-10H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyVFBSXUBFGRUEOD-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.02
Rot. Bonds2

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

[(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol (PubChem CID 89014166) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol
PubChem CID89014166
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol
SMILESCCC1=CN[C@H](CO)CC1
InChIInChI=1S/C8H15NO/c1-2-7-3-4-8(6-10)9-5-7/h5,8-10H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyVFBSXUBFGRUEOD-QMMMGPOBSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol?
The IUPAC name of [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol (CID 89014166) is [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol.
What is the SMILES notation for [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol?
The canonical SMILES for [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol is CCC1=CN[C@H](CO)CC1.
What is the InChIKey of [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol?
The InChIKey is VFBSXUBFGRUEOD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-7-3-4-8(6-10)9-5-7/h5,8-10H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol?
[(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol is sourced from PubChem (CID 89014166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).