4-[2-(azepan-4-yl)ethyl]morpholine

C12H24N2O — CID 131340837

IUPAC4-[2-(azepan-4-yl)ethyl]morpholine
SMILESC1CNCCC(CCN2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-2-12(3-6-13-5-1)4-7-14-8-10-15-11-9-14/h12-13H,1-11H2
InChIKeyVKUWSQYSOMKLPB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds3

About 4-[2-(azepan-4-yl)ethyl]morpholine

4-[2-(azepan-4-yl)ethyl]morpholine (PubChem CID 131340837) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[2-(azepan-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(azepan-4-yl)ethyl]morpholine
PubChem CID131340837
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[2-(azepan-4-yl)ethyl]morpholine
SMILESC1CNCCC(CCN2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-2-12(3-6-13-5-1)4-7-14-8-10-15-11-9-14/h12-13H,1-11H2
InChIKeyVKUWSQYSOMKLPB-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Morpholin-4-yl)azepane
CID 56924585
4-(Piperidin-4-ylmethyl)morpholine
CID 12802906
4-(2-Piperidin-4-ylethyl)morpholine
CID 270741
(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-(Cyclohexylmethyl)-3-morpholino-1-propanamine
CID 11184063
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 63762470
2-Piperidin-4-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azepane
CID 64852392
6-Morpholin-4-yl-3-(trifluoromethyl)hexan-1-amine
CID 82534791
4-[(4-Fluoroazepan-4-yl)methyl]morpholine
CID 84682039
2-[1-[2-(2,2-Difluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 120967195
4-[3-(Piperidin-3-yl)propyl]morpholine
CID 15057303

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(azepan-4-yl)ethyl]morpholine (CID 131340837) is 4-[2-(azepan-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(azepan-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(azepan-4-yl)ethyl]morpholine is C1CNCCC(CCN2CCOCC2)C1.
What is the InChIKey of 4-[2-(azepan-4-yl)ethyl]morpholine?
The InChIKey is VKUWSQYSOMKLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-12(3-6-13-5-1)4-7-14-8-10-15-11-9-14/h12-13H,1-11H2.
What are the key properties of 4-[2-(azepan-4-yl)ethyl]morpholine?
4-[2-(azepan-4-yl)ethyl]morpholine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-4-yl)ethyl]morpholine is sourced from PubChem (CID 131340837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).