[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine

C11H22N2O — CID 69401762

IUPAC[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C11H22N2O/c12-7-10-1-4-13(5-2-10)8-11-3-6-14-9-11/h10-11H,1-9,12H2/t11-/m1/s1
InChIKeyIZFBEHDEJHFJFU-LLVKDONJSA-N
MW198.31 g/mol
LogP0.69
Rot. Bonds3

About [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine

[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine (PubChem CID 69401762) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine
PubChem CID69401762
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C11H22N2O/c12-7-10-1-4-13(5-2-10)8-11-3-6-14-9-11/h10-11H,1-9,12H2/t11-/m1/s1
InChIKeyIZFBEHDEJHFJFU-LLVKDONJSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine (CID 69401762) is [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine is NCC1CCN(C[C@H]2CCOC2)CC1.
What is the InChIKey of [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine?
The InChIKey is IZFBEHDEJHFJFU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O/c12-7-10-1-4-13(5-2-10)8-11-3-6-14-9-11/h10-11H,1-9,12H2/t11-/m1/s1.
What are the key properties of [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine?
[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 69401762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).