1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol

C12H18ClN3O — CID 102963157

IUPAC1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCCc1c(Cl)ncnc1N1CCC(C)C(O)C1
InChIInChI=1S/C12H18ClN3O/c1-3-9-11(13)14-7-15-12(9)16-5-4-8(2)10(17)6-16/h7-8,10,17H,3-6H2,1-2H3
InChIKeyWCTVDNMMDPBCPS-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.90
Rot. Bonds2

About 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol

1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol (PubChem CID 102963157) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
PubChem CID102963157
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCCc1c(Cl)ncnc1N1CCC(C)C(O)C1
InChIInChI=1S/C12H18ClN3O/c1-3-9-11(13)14-7-15-12(9)16-5-4-8(2)10(17)6-16/h7-8,10,17H,3-6H2,1-2H3
InChIKeyWCTVDNMMDPBCPS-UHFFFAOYSA-N
XLogP1.90
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol (CID 102963157) is 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol is CCc1c(Cl)ncnc1N1CCC(C)C(O)C1.
What is the InChIKey of 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The InChIKey is WCTVDNMMDPBCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-9-11(13)14-7-15-12(9)16-5-4-8(2)10(17)6-16/h7-8,10,17H,3-6H2,1-2H3.
What are the key properties of 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol has a molecular weight of 255.75 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102963157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).