N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine

C13H26N2O — CID 56828683

IUPACN-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CC1CCNCC1)CC1CCCO1
InChIInChI=1S/C13H26N2O/c1-2-15(11-13-4-3-9-16-13)10-12-5-7-14-8-6-12/h12-14H,2-11H2,1H3
InChIKeyOFSQSGKSOVWDHY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine

N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 56828683) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID56828683
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CC1CCNCC1)CC1CCCO1
InChIInChI=1S/C13H26N2O/c1-2-15(11-13-4-3-9-16-13)10-12-5-7-14-8-6-12/h12-14H,2-11H2,1H3
InChIKeyOFSQSGKSOVWDHY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine (CID 56828683) is N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine is CCN(CC1CCNCC1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is OFSQSGKSOVWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-15(11-13-4-3-9-16-13)10-12-5-7-14-8-6-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine?
N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 56828683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).