4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol

C16H30N2O2 — CID 81130079

IUPAC4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol
SMILESCC(C)=CCN1CCC(NCC2(O)CCOCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-14(2)3-8-18-9-4-15(5-10-18)17-13-16(19)6-11-20-12-7-16/h3,15,17,19H,4-13H2,1-2H3
InChIKeyGYCMYHJRXYAIRY-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.55
Rot. Bonds5

About 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol

4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol (PubChem CID 81130079) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol
PubChem CID81130079
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol
SMILESCC(C)=CCN1CCC(NCC2(O)CCOCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-14(2)3-8-18-9-4-15(5-10-18)17-13-16(19)6-11-20-12-7-16/h3,15,17,19H,4-13H2,1-2H3
InChIKeyGYCMYHJRXYAIRY-UHFFFAOYSA-N
XLogP1.55
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol (CID 81130079) is 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol is CC(C)=CCN1CCC(NCC2(O)CCOCC2)CC1.
What is the InChIKey of 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol?
The InChIKey is GYCMYHJRXYAIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14(2)3-8-18-9-4-15(5-10-18)17-13-16(19)6-11-20-12-7-16/h3,15,17,19H,4-13H2,1-2H3.
What are the key properties of 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol?
4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol has a molecular weight of 282.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).