[4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol

C16H19N3O — CID 39805289

IUPAC[4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol
SMILESOCc1ccc(-c2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C16H19N3O/c20-11-13-4-6-14(7-5-13)15-10-16(18-12-17-15)19-8-2-1-3-9-19/h4-7,10,12,20H,1-3,8-9,11H2
InChIKeyYGTKVIWJMPBXEN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.63
Rot. Bonds3

About [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol

[4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol (PubChem CID 39805289) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol
PubChem CID39805289
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol
SMILESOCc1ccc(-c2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C16H19N3O/c20-11-13-4-6-14(7-5-13)15-10-16(18-12-17-15)19-8-2-1-3-9-19/h4-7,10,12,20H,1-3,8-9,11H2
InChIKeyYGTKVIWJMPBXEN-UHFFFAOYSA-N
XLogP2.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098874
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine
CID 39741292
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50841152
N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098839
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854

Frequently Asked Questions

What is the IUPAC name of [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol?
The IUPAC name of [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol (CID 39805289) is [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol.
What is the SMILES notation for [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol?
The canonical SMILES for [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol is OCc1ccc(-c2cc(N3CCCCC3)ncn2)cc1.
What is the InChIKey of [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol?
The InChIKey is YGTKVIWJMPBXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-11-13-4-6-14(7-5-13)15-10-16(18-12-17-15)19-8-2-1-3-9-19/h4-7,10,12,20H,1-3,8-9,11H2.
What are the key properties of [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol?
[4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol has a molecular weight of 269.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-piperidin-1-ylpyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 39805289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).