[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol

C18H23N3O — CID 110257482

IUPAC[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol
SMILESCc1cc(-c2ccc(CO)cc2)nc(C2CCCN(C)C2)n1
InChIInChI=1S/C18H23N3O/c1-13-10-17(15-7-5-14(12-22)6-8-15)20-18(19-13)16-4-3-9-21(2)11-16/h5-8,10,16,22H,3-4,9,11-12H2,1-2H3
InChIKeyVVPXENVZLYOGFJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.75
Rot. Bonds3

About [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol

[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol (PubChem CID 110257482) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol
PubChem CID110257482
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol
SMILESCc1cc(-c2ccc(CO)cc2)nc(C2CCCN(C)C2)n1
InChIInChI=1S/C18H23N3O/c1-13-10-17(15-7-5-14(12-22)6-8-15)20-18(19-13)16-4-3-9-21(2)11-16/h5-8,10,16,22H,3-4,9,11-12H2,1-2H3
InChIKeyVVPXENVZLYOGFJ-UHFFFAOYSA-N
XLogP2.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[6-(1-methylpiperidin-3-yl)-3-pyridinyl]phenyl]methanol
CID 110257480
[4-(1-methylpiperidin-3-yl)phenyl]methanol
CID 58393220
4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100437
4-(2,3-dimethylimidazol-4-yl)-6-methyl-2-[(3R)-1-methylpiperidin-3-yl]pyrimidine
CID 124997329
4-[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]benzoic acid
CID 110120422
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
4-[6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-yl]benzoic acid
CID 110112211
4-methyl-6-(1-methylpiperidin-3-yl)-2-pyrrolidin-3-ylpyrimidine
CID 116893403
4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110095386
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
6-methyl-2-(1-methylpiperidin-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 110257270

Frequently Asked Questions

What is the IUPAC name of [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol?
The IUPAC name of [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol (CID 110257482) is [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol?
The canonical SMILES for [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol is Cc1cc(-c2ccc(CO)cc2)nc(C2CCCN(C)C2)n1.
What is the InChIKey of [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol?
The InChIKey is VVPXENVZLYOGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-10-17(15-7-5-14(12-22)6-8-15)20-18(19-13)16-4-3-9-21(2)11-16/h5-8,10,16,22H,3-4,9,11-12H2,1-2H3.
What are the key properties of [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol?
[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol has a molecular weight of 297.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol is sourced from PubChem (CID 110257482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).