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

C15H28N2O2 — CID 103904844

IUPAC3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCC(C)=CCN1CCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)3-7-17-8-4-14(5-9-17)16-11-15(18)6-10-19-12-15/h3,14,16,18H,4-12H2,1-2H3
InChIKeyOPSKCEGJBGNEDO-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.16
Rot. Bonds5

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

3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 103904844) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID103904844
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCC(C)=CCN1CCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)3-7-17-8-4-14(5-9-17)16-11-15(18)6-10-19-12-15/h3,14,16,18H,4-12H2,1-2H3
InChIKeyOPSKCEGJBGNEDO-UHFFFAOYSA-N
XLogP1.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.16
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 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol (CID 103904844) is 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol is CC(C)=CCN1CCC(NCC2(O)CCOC2)CC1.
What is the InChIKey of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is OPSKCEGJBGNEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)3-7-17-8-4-14(5-9-17)16-11-15(18)6-10-19-12-15/h3,14,16,18H,4-12H2,1-2H3.
What are the key properties of 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol?
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 268.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).