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

C15H30N2O2 — CID 107270578

IUPAC2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCC(C)CN1CCC(NCC2(O)CCOC2C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)10-17-7-4-14(5-8-17)16-11-15(18)6-9-19-13(15)3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyKNEAQDQQKPOTTO-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds5

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

2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 107270578) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID107270578
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCC(C)CN1CCC(NCC2(O)CCOC2C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)10-17-7-4-14(5-8-17)16-11-15(18)6-9-19-13(15)3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyKNEAQDQQKPOTTO-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.24
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-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol (CID 107270578) is 2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol is CC(C)CN1CCC(NCC2(O)CCOC2C)CC1.
What is the InChIKey of 2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is KNEAQDQQKPOTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)10-17-7-4-14(5-8-17)16-11-15(18)6-9-19-13(15)3/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
2-methyl-3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 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-(2-methylpropyl)piperidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).