(3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol

C8H15NO — CID 89014165

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

About (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol

(3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol (PubChem CID 89014165) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol
PubChem CID89014165
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol
SMILESCC1=CNC(CO)C(C)C1
InChIInChI=1S/C8H15NO/c1-6-3-7(2)8(5-10)9-4-6/h4,7-10H,3,5H2,1-2H3
InChIKeyJTADJBYVDJFQQG-UHFFFAOYSA-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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Related Compounds

CID 89014166
CID 89014166
CID 89269282
CID 89269282
CID 89335431
CID 89335431
CID 61055522
CID 61055522
CID 103277761
CID 103277761

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol?
The IUPAC name of (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol (CID 89014165) is (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol.
What is the SMILES notation for (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol?
The canonical SMILES for (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol is CC1=CNC(CO)C(C)C1.
What is the InChIKey of (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol?
The InChIKey is JTADJBYVDJFQQG-UHFFFAOYSA-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.
What are the key properties of (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol?
(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 (3,5-dimethyl-1,2,3,4-tetrahydropyridin-2-yl)methanol is sourced from PubChem (CID 89014165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).