3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol

C19H23N3O2 — CID 91776992

IUPAC3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol
SMILESOc1cccc(C2CCN(c3cc(C4CC(O)C4)ncn3)CC2)c1
InChIInChI=1S/C19H23N3O2/c23-16-3-1-2-14(8-16)13-4-6-22(7-5-13)19-11-18(20-12-21-19)15-9-17(24)10-15/h1-3,8,11-13,15,17,23-24H,4-7,9-10H2
InChIKeyRJBYNMTVYNQFDZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.80
Rot. Bonds3

About 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol

3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol (PubChem CID 91776992) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol
PubChem CID91776992
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol
SMILESOc1cccc(C2CCN(c3cc(C4CC(O)C4)ncn3)CC2)c1
InChIInChI=1S/C19H23N3O2/c23-16-3-1-2-14(8-16)13-4-6-22(7-5-13)19-11-18(20-12-21-19)15-9-17(24)10-15/h1-3,8,11-13,15,17,23-24H,4-7,9-10H2
InChIKeyRJBYNMTVYNQFDZ-UHFFFAOYSA-N
XLogP2.80
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol?
The IUPAC name of 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol (CID 91776992) is 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol is Oc1cccc(C2CCN(c3cc(C4CC(O)C4)ncn3)CC2)c1.
What is the InChIKey of 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol?
The InChIKey is RJBYNMTVYNQFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-16-3-1-2-14(8-16)13-4-6-22(7-5-13)19-11-18(20-12-21-19)15-9-17(24)10-15/h1-3,8,11-13,15,17,23-24H,4-7,9-10H2.
What are the key properties of 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol?
3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol has a molecular weight of 325.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol is sourced from PubChem (CID 91776992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).