[3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol

C21H29N3O — CID 56739359

IUPAC[3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1ccccc1CC1(CO)CCCN(c2ncncc2C(C)C)C1
InChIInChI=1S/C21H29N3O/c1-16(2)19-12-22-15-23-20(19)24-10-6-9-21(13-24,14-25)11-18-8-5-4-7-17(18)3/h4-5,7-8,12,15-16,25H,6,9-11,13-14H2,1-3H3
InChIKeyVTEMKXVVYCYQBL-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.73
Rot. Bonds5

About [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol

[3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 56739359) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID56739359
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name[3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1ccccc1CC1(CO)CCCN(c2ncncc2C(C)C)C1
InChIInChI=1S/C21H29N3O/c1-16(2)19-12-22-15-23-20(19)24-10-6-9-21(13-24,14-25)11-18-8-5-4-7-17(18)3/h4-5,7-8,12,15-16,25H,6,9-11,13-14H2,1-3H3
InChIKeyVTEMKXVVYCYQBL-UHFFFAOYSA-N
XLogP3.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}ethanol
CID 11160875
1-(2-Amino-4-pyrimidinyl)-3-(3-phenylpropyl)-3-piperidinemethanol
CID 56750508
2-(1-Cyclohexyl-4-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl)ethanol
CID 16190440
(4-Benzyl-1-{[2-(1-naphthyl)pyrimidin-5-yl]methyl}piperidin-4-yl)methanol
CID 16191120
[1-{[2-(3-Methylphenyl)pyrimidin-5-yl]methyl}-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191448
2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile
CID 385200
2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde oxime
CID 9571514
[1-{[2-(2-Methylphenyl)pyrimidin-5-yl]methyl}-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16189183
(3-(2-Methylbenzyl)-1-{[2-(3-methylphenyl)pyrimidin-5-yl]methyl}piperidin-3-yl)methanol
CID 16190933
{3-(2-Fluorobenzyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 56748960
{1-(5,6-Dimethylpyrimidin-4-yl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56758079
[1-(2-Aminopyrimidin-4-yl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 56755545

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 56739359) is [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol is Cc1ccccc1CC1(CO)CCCN(c2ncncc2C(C)C)C1.
What is the InChIKey of [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is VTEMKXVVYCYQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(2)19-12-22-15-23-20(19)24-10-6-9-21(13-24,14-25)11-18-8-5-4-7-17(18)3/h4-5,7-8,12,15-16,25H,6,9-11,13-14H2,1-3H3.
What are the key properties of [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
[3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 339.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylphenyl)methyl]-1-(5-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 56739359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).