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

C15H25N3O2 — CID 170051033

IUPAC4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol
SMILESCC(C)CCOc1cnc(N2CCC(C)(O)CC2)nc1
InChIInChI=1S/C15H25N3O2/c1-12(2)4-9-20-13-10-16-14(17-11-13)18-7-5-15(3,19)6-8-18/h10-12,19H,4-9H2,1-3H3
InChIKeyMVVVMZXNHLUZJN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.25
Rot. Bonds5

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

4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 170051033) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol
PubChem CID170051033
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol
SMILESCC(C)CCOc1cnc(N2CCC(C)(O)CC2)nc1
InChIInChI=1S/C15H25N3O2/c1-12(2)4-9-20-13-10-16-14(17-11-13)18-7-5-15(3,19)6-8-18/h10-12,19H,4-9H2,1-3H3
InChIKeyMVVVMZXNHLUZJN-UHFFFAOYSA-N
XLogP2.25
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol (CID 170051033) is 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol is CC(C)CCOc1cnc(N2CCC(C)(O)CC2)nc1.
What is the InChIKey of 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is MVVVMZXNHLUZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)4-9-20-13-10-16-14(17-11-13)18-7-5-15(3,19)6-8-18/h10-12,19H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol?
4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 279.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(3-methylbutoxy)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 170051033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).