2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol

C14H28N2O2 — CID 107270617

IUPAC2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCCCN1CCC(NCC2(O)CCOC2C)CC1
InChIInChI=1S/C14H28N2O2/c1-3-7-16-8-4-13(5-9-16)15-11-14(17)6-10-18-12(14)2/h12-13,15,17H,3-11H2,1-2H3
InChIKeyCJFKNXGLEVDLBZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds5

About 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol

2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 107270617) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID107270617
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCCCN1CCC(NCC2(O)CCOC2C)CC1
InChIInChI=1S/C14H28N2O2/c1-3-7-16-8-4-13(5-9-16)15-11-14(17)6-10-18-12(14)2/h12-13,15,17H,3-11H2,1-2H3
InChIKeyCJFKNXGLEVDLBZ-UHFFFAOYSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol (CID 107270617) is 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol is CCCN1CCC(NCC2(O)CCOC2C)CC1.
What is the InChIKey of 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is CJFKNXGLEVDLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-7-16-8-4-13(5-9-16)15-11-14(17)6-10-18-12(14)2/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 256.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(1-propylpiperidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).