(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol

C13H17NO — CID 3021101

IUPAC(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol
SMILESCN1CC=C(c2ccccc2)C(CO)C1
InChIInChI=1S/C13H17NO/c1-14-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-7,12,15H,8-10H2,1H3
InChIKeyXEKJYZSYCTXLJX-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.62
Rot. Bonds2

About (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol

(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol (PubChem CID 3021101) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol.

Molecular Properties

Compound Name(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol
PubChem CID3021101
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol
SMILESCN1CC=C(c2ccccc2)C(CO)C1
InChIInChI=1S/C13H17NO/c1-14-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-7,12,15H,8-10H2,1H3
InChIKeyXEKJYZSYCTXLJX-UHFFFAOYSA-N
XLogP1.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol?
The IUPAC name of (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol (CID 3021101) is (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol.
What is the SMILES notation for (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol?
The canonical SMILES for (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol is CN1CC=C(c2ccccc2)C(CO)C1.
What is the InChIKey of (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol?
The InChIKey is XEKJYZSYCTXLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-7,12,15H,8-10H2,1H3.
What are the key properties of (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol?
(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol has a molecular weight of 203.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl)methanol is sourced from PubChem (CID 3021101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).