[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine

C14H28N2O — CID 55158135

IUPAC[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCCC1(C)CCN(CC2CCC(CN)O2)CC1
InChIInChI=1S/C14H28N2O/c1-3-14(2)6-8-16(9-7-14)11-13-5-4-12(10-15)17-13/h12-13H,3-11,15H2,1-2H3
InChIKeySYAPHYUQKBRAFW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

About [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 55158135) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID55158135
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCCC1(C)CCN(CC2CCC(CN)O2)CC1
InChIInChI=1S/C14H28N2O/c1-3-14(2)6-8-16(9-7-14)11-13-5-4-12(10-15)17-13/h12-13H,3-11,15H2,1-2H3
InChIKeySYAPHYUQKBRAFW-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine (CID 55158135) is [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine is CCC1(C)CCN(CC2CCC(CN)O2)CC1.
What is the InChIKey of [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is SYAPHYUQKBRAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14(2)6-8-16(9-7-14)11-13-5-4-12(10-15)17-13/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 55158135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).