1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane

C17H26N2O2 — CID 65166523

IUPAC1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane
SMILESc1cc(N2CCCNCC2)ccc1OCCC1CCCO1
InChIInChI=1S/C17H26N2O2/c1-3-16(20-13-1)8-14-21-17-6-4-15(5-7-17)19-11-2-9-18-10-12-19/h4-7,16,18H,1-3,8-14H2
InChIKeyRFWUNIGLOWIBLY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds5

About 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane

1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane (PubChem CID 65166523) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane
PubChem CID65166523
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane
SMILESc1cc(N2CCCNCC2)ccc1OCCC1CCCO1
InChIInChI=1S/C17H26N2O2/c1-3-16(20-13-1)8-14-21-17-6-4-15(5-7-17)19-11-2-9-18-10-12-19/h4-7,16,18H,1-3,8-14H2
InChIKeyRFWUNIGLOWIBLY-UHFFFAOYSA-N
XLogP2.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine
CID 65166577
1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine
CID 65201976
1-[4-(2-fluoroethoxy)phenyl]-1,4-diazepane
CID 80693994
1-[4-(3,3,3-trifluoropropoxy)phenyl]-1,4-diazepane
CID 64565536
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
1-[2-methyl-4-(oxolan-2-ylmethoxy)phenyl]-1,4-diazepane
CID 83137987
1-[4-(oxan-4-yloxy)phenyl]-1,4-diazepane
CID 63936915
1-[4-(methoxymethoxy)phenyl]-1,4-diazepane
CID 65364808
2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane?
The IUPAC name of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane (CID 65166523) is 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane.
What is the SMILES notation for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane?
The canonical SMILES for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane is c1cc(N2CCCNCC2)ccc1OCCC1CCCO1.
What is the InChIKey of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane?
The InChIKey is RFWUNIGLOWIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-16(20-13-1)8-14-21-17-6-4-15(5-7-17)19-11-2-9-18-10-12-19/h4-7,16,18H,1-3,8-14H2.
What are the key properties of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane?
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane has a molecular weight of 290.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]-1,4-diazepane is sourced from PubChem (CID 65166523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).