4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol

C12H24N2O2 — CID 143974172

IUPAC4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol
SMILESOC1(CNCC2CCCCO2)CCNCC1
InChIInChI=1S/C12H24N2O2/c15-12(4-6-13-7-5-12)10-14-9-11-3-1-2-8-16-11/h11,13-15H,1-10H2
InChIKeyPISDJEUJZJMJRF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.26
Rot. Bonds4

About 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol

4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol (PubChem CID 143974172) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol
PubChem CID143974172
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol
SMILESOC1(CNCC2CCCCO2)CCNCC1
InChIInChI=1S/C12H24N2O2/c15-12(4-6-13-7-5-12)10-14-9-11-3-1-2-8-16-11/h11,13-15H,1-10H2
InChIKeyPISDJEUJZJMJRF-UHFFFAOYSA-N
XLogP0.26
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol (CID 143974172) is 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol is OC1(CNCC2CCCCO2)CCNCC1.
What is the InChIKey of 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol?
The InChIKey is PISDJEUJZJMJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-12(4-6-13-7-5-12)10-14-9-11-3-1-2-8-16-11/h11,13-15H,1-10H2.
What are the key properties of 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol?
4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol has a molecular weight of 228.34 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(oxan-2-ylmethylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 143974172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).