4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine

C15H30N2O — CID 66245191

IUPAC4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine
SMILESCCC1(CC)CCN(CC2COCC2NC)CC1
InChIInChI=1S/C15H30N2O/c1-4-15(5-2)6-8-17(9-7-15)10-13-11-18-12-14(13)16-3/h13-14,16H,4-12H2,1-3H3
InChIKeyATQYTHITOQPVIH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine

4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine (PubChem CID 66245191) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine
PubChem CID66245191
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine
SMILESCCC1(CC)CCN(CC2COCC2NC)CC1
InChIInChI=1S/C15H30N2O/c1-4-15(5-2)6-8-17(9-7-15)10-13-11-18-12-14(13)16-3/h13-14,16H,4-12H2,1-3H3
InChIKeyATQYTHITOQPVIH-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine (CID 66245191) is 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine is CCC1(CC)CCN(CC2COCC2NC)CC1.
What is the InChIKey of 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine?
The InChIKey is ATQYTHITOQPVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-15(5-2)6-8-17(9-7-15)10-13-11-18-12-14(13)16-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine?
4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66245191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).