[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol

C18H24N4O2 — CID 56757600

IUPAC[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
SMILESNc1nccc(N2CCCC(CO)(CCOc3ccccc3)C2)n1
InChIInChI=1S/C18H24N4O2/c19-17-20-10-7-16(21-17)22-11-4-8-18(13-22,14-23)9-12-24-15-5-2-1-3-6-15/h1-3,5-7,10,23H,4,8-9,11-14H2,(H2,19,20,21)
InChIKeyWMFMBPIQXGQDRD-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.11
Rot. Bonds6

About [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol

[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol (PubChem CID 56757600) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
PubChem CID56757600
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
SMILESNc1nccc(N2CCCC(CO)(CCOc3ccccc3)C2)n1
InChIInChI=1S/C18H24N4O2/c19-17-20-10-7-16(21-17)22-11-4-8-18(13-22,14-23)9-12-24-15-5-2-1-3-6-15/h1-3,5-7,10,23H,4,8-9,11-14H2,(H2,19,20,21)
InChIKeyWMFMBPIQXGQDRD-UHFFFAOYSA-N
XLogP2.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 95191626
4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine
CID 155717540
[(3S)-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 95221850
[1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 56760178
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 86282981
[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 95208187
[1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 45182194
[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97145143
1-(4-aminopyrimidin-2-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 56872755
1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 42565161

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol (CID 56757600) is [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol is Nc1nccc(N2CCCC(CO)(CCOc3ccccc3)C2)n1.
What is the InChIKey of [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The InChIKey is WMFMBPIQXGQDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-17-20-10-7-16(21-17)22-11-4-8-18(13-22,14-23)9-12-24-15-5-2-1-3-6-15/h1-3,5-7,10,23H,4,8-9,11-14H2,(H2,19,20,21).
What are the key properties of [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 56757600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).