2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol

C11H22N2O2 — CID 106100244

IUPAC2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-9-11(14,4-7-15-9)8-13-10-2-5-12-6-3-10/h9-10,12-14H,2-8H2,1H3
InChIKeyLUFHWJUTMDJFSU-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.13
Rot. Bonds3

About 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol

2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol (PubChem CID 106100244) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol
PubChem CID106100244
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-9-11(14,4-7-15-9)8-13-10-2-5-12-6-3-10/h9-10,12-14H,2-8H2,1H3
InChIKeyLUFHWJUTMDJFSU-UHFFFAOYSA-N
XLogP-0.13
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol (CID 106100244) is 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol is CC1OCCC1(O)CNC1CCNCC1.
What is the InChIKey of 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol?
The InChIKey is LUFHWJUTMDJFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9-11(14,4-7-15-9)8-13-10-2-5-12-6-3-10/h9-10,12-14H,2-8H2,1H3.
What are the key properties of 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol?
2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol has a molecular weight of 214.31 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(piperidin-4-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).