1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol

C14H23N3O2 — CID 170050926

IUPAC1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol
SMILESCC(C)CCOc1cnc(N2CCC(O)CC2)nc1
InChIInChI=1S/C14H23N3O2/c1-11(2)5-8-19-13-9-15-14(16-10-13)17-6-3-12(18)4-7-17/h9-12,18H,3-8H2,1-2H3
InChIKeyBPVGXDBTLLMMNW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds5

About 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol

1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 170050926) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol
PubChem CID170050926
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol
SMILESCC(C)CCOc1cnc(N2CCC(O)CC2)nc1
InChIInChI=1S/C14H23N3O2/c1-11(2)5-8-19-13-9-15-14(16-10-13)17-6-3-12(18)4-7-17/h9-12,18H,3-8H2,1-2H3
InChIKeyBPVGXDBTLLMMNW-UHFFFAOYSA-N
XLogP1.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol (CID 170050926) is 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol is CC(C)CCOc1cnc(N2CCC(O)CC2)nc1.
What is the InChIKey of 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is BPVGXDBTLLMMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)5-8-19-13-9-15-14(16-10-13)17-6-3-12(18)4-7-17/h9-12,18H,3-8H2,1-2H3.
What are the key properties of 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol?
1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 265.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 170050926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).