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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Related Compounds

3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91772623
3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147
3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91783807
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91775817
3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764195
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91770488
3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
CID 126447690
[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 91767555
1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 126848783
(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
CID 177277698

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).