1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol

C14H22ClN3O — CID 102963119

IUPAC1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cc(Cl)nc(C(C)(C)C)n2)CC1O
InChIInChI=1S/C14H22ClN3O/c1-9-5-6-18(8-10(9)19)12-7-11(15)16-13(17-12)14(2,3)4/h7,9-10,19H,5-6,8H2,1-4H3
InChIKeyCSZVNRIEMZPSAR-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.63
Rot. Bonds1

About 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol

1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol (PubChem CID 102963119) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
PubChem CID102963119
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cc(Cl)nc(C(C)(C)C)n2)CC1O
InChIInChI=1S/C14H22ClN3O/c1-9-5-6-18(8-10(9)19)12-7-11(15)16-13(17-12)14(2,3)4/h7,9-10,19H,5-6,8H2,1-4H3
InChIKeyCSZVNRIEMZPSAR-UHFFFAOYSA-N
XLogP2.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol (CID 102963119) is 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol is CC1CCN(c2cc(Cl)nc(C(C)(C)C)n2)CC1O.
What is the InChIKey of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol?
The InChIKey is CSZVNRIEMZPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9-5-6-18(8-10(9)19)12-7-11(15)16-13(17-12)14(2,3)4/h7,9-10,19H,5-6,8H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol?
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol has a molecular weight of 283.80 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102963119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).