1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol

C7H13NO — CID 167033333

IUPAC1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol
SMILESCC1CN(C)CC=C1O
InChIInChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h3,6,9H,4-5H2,1-2H3
InChIKeyBOGCQOFFSYPTQQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.01
Rot. Bonds

About 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol

1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol (PubChem CID 167033333) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol.

Molecular Properties

Compound Name1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol
PubChem CID167033333
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol
SMILESCC1CN(C)CC=C1O
InChIInChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h3,6,9H,4-5H2,1-2H3
InChIKeyBOGCQOFFSYPTQQ-UHFFFAOYSA-N
XLogP1.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol?
The IUPAC name of 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol (CID 167033333) is 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol.
What is the SMILES notation for 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol?
The canonical SMILES for 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol is CC1CN(C)CC=C1O.
What is the InChIKey of 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol?
The InChIKey is BOGCQOFFSYPTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h3,6,9H,4-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol?
1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol has a molecular weight of 127.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3,6-dihydro-2H-pyridin-4-ol is sourced from PubChem (CID 167033333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).