N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

C16H32N2O — CID 43308603

IUPACN-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)NC(C)C2CCCO2)CC1
InChIInChI=1S/C16H32N2O/c1-4-9-18-10-7-15(8-11-18)13(2)17-14(3)16-6-5-12-19-16/h13-17H,4-12H2,1-3H3
InChIKeyXTXUHDOREOIHNE-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds6

About N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (PubChem CID 43308603) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
PubChem CID43308603
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)NC(C)C2CCCO2)CC1
InChIInChI=1S/C16H32N2O/c1-4-9-18-10-7-15(8-11-18)13(2)17-14(3)16-6-5-12-19-16/h13-17H,4-12H2,1-3H3
InChIKeyXTXUHDOREOIHNE-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (CID 43308603) is N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is CCCN1CCC(C(C)NC(C)C2CCCO2)CC1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The InChIKey is XTXUHDOREOIHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-9-18-10-7-15(8-11-18)13(2)17-14(3)16-6-5-12-19-16/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 43308603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).