3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine

C15H30N2O — CID 114507661

IUPAC3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2CCCO2)CC1CC
InChIInChI=1S/C15H30N2O/c1-3-8-16-15-7-9-17(11-13(15)4-2)12-14-6-5-10-18-14/h13-16H,3-12H2,1-2H3
InChIKeyVVYHXDFCTDZAME-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine

3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine (PubChem CID 114507661) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
PubChem CID114507661
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2CCCO2)CC1CC
InChIInChI=1S/C15H30N2O/c1-3-8-16-15-7-9-17(11-13(15)4-2)12-14-6-5-10-18-14/h13-16H,3-12H2,1-2H3
InChIKeyVVYHXDFCTDZAME-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine?
The IUPAC name of 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine (CID 114507661) is 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine is CCCNC1CCN(CC2CCCO2)CC1CC.
What is the InChIKey of 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine?
The InChIKey is VVYHXDFCTDZAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-16-15-7-9-17(11-13(15)4-2)12-14-6-5-10-18-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine?
3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 114507661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).