1,2,3,4-tetrahydropyridin-3-ylmethanol

C6H11NO — CID 68743914

IUPAC1,2,3,4-tetrahydropyridin-3-ylmethanol
SMILESOCC1CC=CNC1
InChIInChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h1,3,6-8H,2,4-5H2
InChIKeyIFOKTDXXYPGOBC-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.10
Rot. Bonds1

About 1,2,3,4-tetrahydropyridin-3-ylmethanol

1,2,3,4-tetrahydropyridin-3-ylmethanol (PubChem CID 68743914) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyridin-3-ylmethanol.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyridin-3-ylmethanol
PubChem CID68743914
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1,2,3,4-tetrahydropyridin-3-ylmethanol
SMILESOCC1CC=CNC1
InChIInChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h1,3,6-8H,2,4-5H2
InChIKeyIFOKTDXXYPGOBC-UHFFFAOYSA-N
XLogP0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyridin-3-ylmethanol?
The IUPAC name of 1,2,3,4-tetrahydropyridin-3-ylmethanol (CID 68743914) is 1,2,3,4-tetrahydropyridin-3-ylmethanol.
What is the SMILES notation for 1,2,3,4-tetrahydropyridin-3-ylmethanol?
The canonical SMILES for 1,2,3,4-tetrahydropyridin-3-ylmethanol is OCC1CC=CNC1.
What is the InChIKey of 1,2,3,4-tetrahydropyridin-3-ylmethanol?
The InChIKey is IFOKTDXXYPGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h1,3,6-8H,2,4-5H2.
What are the key properties of 1,2,3,4-tetrahydropyridin-3-ylmethanol?
1,2,3,4-tetrahydropyridin-3-ylmethanol has a molecular weight of 113.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyridin-3-ylmethanol is sourced from PubChem (CID 68743914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).