3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol

C18H23N3O — CID 95402818

IUPAC3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
SMILESCc1nccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)n1
InChIInChI=1S/C18H23N3O/c1-13-19-9-7-18(21-13)15-10-14(11-17(22)12-15)5-6-16-4-2-3-8-20-16/h7,9-12,16,20,22H,2-6,8H2,1H3/t16-/m1/s1
InChIKeyOYJBKJSVHQEPOO-MRXNPFEDSA-N
MW297.40 g/mol
LogP3.23
Rot. Bonds4

About 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol

3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol (PubChem CID 95402818) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
PubChem CID95402818
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
SMILESCc1nccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)n1
InChIInChI=1S/C18H23N3O/c1-13-19-9-7-18(21-13)15-10-14(11-17(22)12-15)5-6-16-4-2-3-8-20-16/h7,9-12,16,20,22H,2-6,8H2,1H3/t16-/m1/s1
InChIKeyOYJBKJSVHQEPOO-MRXNPFEDSA-N
XLogP3.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol (CID 95402818) is 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol is Cc1nccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)n1.
What is the InChIKey of 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The InChIKey is OYJBKJSVHQEPOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-19-9-7-18(21-13)15-10-14(11-17(22)12-15)5-6-16-4-2-3-8-20-16/h7,9-12,16,20,22H,2-6,8H2,1H3/t16-/m1/s1.
What are the key properties of 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol has a molecular weight of 297.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-4-yl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 95402818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).