[1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol

C20H27N3O — CID 56749029

IUPAC[1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESCc1nccc(N2CCCC(CO)(CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H27N3O/c1-17-21-13-10-19(22-17)23-14-6-12-20(15-23,16-24)11-5-9-18-7-3-2-4-8-18/h2-4,7-8,10,13,24H,5-6,9,11-12,14-16H2,1H3
InChIKeyGDBWRIBFQMJODQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.39
Rot. Bonds6

About [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol

[1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol (PubChem CID 56749029) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
PubChem CID56749029
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name[1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESCc1nccc(N2CCCC(CO)(CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H27N3O/c1-17-21-13-10-19(22-17)23-14-6-12-20(15-23,16-24)11-5-9-18-7-3-2-4-8-18/h2-4,7-8,10,13,24H,5-6,9,11-12,14-16H2,1H3
InChIKeyGDBWRIBFQMJODQ-UHFFFAOYSA-N
XLogP3.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.39
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
1-Phenyl-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propan-1-ol
CID 10709212
2-(1-Isobutyl-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl)ethanol
CID 16188423
(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
(4-Benzyl-1-{[2-(4-chlorophenyl)pyrimidin-5-yl]methyl}piperidin-4-yl)methanol
CID 16192404
4-(4-methoxypiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 162648793
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
2-(1-(3-Methylbutyl)-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl)ethanol
CID 16187370
(3-(3-Chlorobenzyl)-1-{[2-(3-methylphenyl)pyrimidin-5-yl]methyl}piperidin-3-yl)methanol
CID 16187379

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol (CID 56749029) is [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol is Cc1nccc(N2CCCC(CO)(CCCc3ccccc3)C2)n1.
What is the InChIKey of [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The InChIKey is GDBWRIBFQMJODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-17-21-13-10-19(22-17)23-14-6-12-20(15-23,16-24)11-5-9-18-7-3-2-4-8-18/h2-4,7-8,10,13,24H,5-6,9,11-12,14-16H2,1H3.
What are the key properties of [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
[1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol has a molecular weight of 325.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 56749029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).