2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol

C15H29NO2 — CID 79065730

IUPAC2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)C1CCOCC1)N1CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-15(2,16-9-5-4-6-10-16)14(17)13-7-11-18-12-8-13/h13-14,17H,3-12H2,1-2H3
InChIKeySPSBSJJDLNDVJW-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds4

About 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol

2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol (PubChem CID 79065730) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
PubChem CID79065730
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)C1CCOCC1)N1CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-15(2,16-9-5-4-6-10-16)14(17)13-7-11-18-12-8-13/h13-14,17H,3-12H2,1-2H3
InChIKeySPSBSJJDLNDVJW-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol (CID 79065730) is 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol is CCC(C)(C(O)C1CCOCC1)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol?
The InChIKey is SPSBSJJDLNDVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-15(2,16-9-5-4-6-10-16)14(17)13-7-11-18-12-8-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol?
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 79065730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).