[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C19H25FN4O2 — CID 167944213

IUPAC[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCN(CCOc1ccccc1F)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C19H25FN4O2/c1-23(9-10-26-17-7-3-2-6-16(17)20)18-11-19(22-14-21-18)24-8-4-5-15(12-24)13-25/h2-3,6-7,11,14-15,25H,4-5,8-10,12-13H2,1H3
InChIKeyBHTBLNBXRNNHPX-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.34
Rot. Bonds7

About [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 167944213) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID167944213
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCN(CCOc1ccccc1F)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C19H25FN4O2/c1-23(9-10-26-17-7-3-2-6-16(17)20)18-11-19(22-14-21-18)24-8-4-5-15(12-24)13-25/h2-3,6-7,11,14-15,25H,4-5,8-10,12-13H2,1H3
InChIKeyBHTBLNBXRNNHPX-UHFFFAOYSA-N
XLogP2.34
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
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[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
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2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 120964085
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252
[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 167944213) is [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is CN(CCOc1ccccc1F)c1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is BHTBLNBXRNNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-23(9-10-26-17-7-3-2-6-16(17)20)18-11-19(22-14-21-18)24-8-4-5-15(12-24)13-25/h2-3,6-7,11,14-15,25H,4-5,8-10,12-13H2,1H3.
What are the key properties of [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 360.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 167944213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).