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

C6H11NO — CID 90421063

IUPAC1,2,3,4-tetrahydropyridin-2-ylmethanol
SMILESOCC1CCC=CN1
InChIInChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h2,4,6-8H,1,3,5H2
InChIKeyBLGQHHKBCZCTOP-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.24
Rot. Bonds1

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

1,2,3,4-tetrahydropyridin-2-ylmethanol (PubChem CID 90421063) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyridin-2-ylmethanol.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyridin-2-ylmethanol
PubChem CID90421063
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1,2,3,4-tetrahydropyridin-2-ylmethanol
SMILESOCC1CCC=CN1
InChIInChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h2,4,6-8H,1,3,5H2
InChIKeyBLGQHHKBCZCTOP-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4-tetrahydropyridin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyridin-2-ylmethanol?
The IUPAC name of 1,2,3,4-tetrahydropyridin-2-ylmethanol (CID 90421063) is 1,2,3,4-tetrahydropyridin-2-ylmethanol.
What is the SMILES notation for 1,2,3,4-tetrahydropyridin-2-ylmethanol?
The canonical SMILES for 1,2,3,4-tetrahydropyridin-2-ylmethanol is OCC1CCC=CN1.
What is the InChIKey of 1,2,3,4-tetrahydropyridin-2-ylmethanol?
The InChIKey is BLGQHHKBCZCTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h2,4,6-8H,1,3,5H2.
What are the key properties of 1,2,3,4-tetrahydropyridin-2-ylmethanol?
1,2,3,4-tetrahydropyridin-2-ylmethanol has a molecular weight of 113.16 g/mol, XLogP of 0.24, 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-2-ylmethanol is sourced from PubChem (CID 90421063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).