1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane

C19H25N3O — CID 3734748

IUPAC1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane
SMILESCOc1ccccc1C(Cc1ccccn1)N1CCCNCC1
InChIInChI=1S/C19H25N3O/c1-23-19-9-3-2-8-17(19)18(15-16-7-4-5-11-21-16)22-13-6-10-20-12-14-22/h2-5,7-9,11,18,20H,6,10,12-15H2,1H3
InChIKeyMQIBHYOCHWMACS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.67
Rot. Bonds5

About 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane

1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane (PubChem CID 3734748) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane
PubChem CID3734748
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane
SMILESCOc1ccccc1C(Cc1ccccn1)N1CCCNCC1
InChIInChI=1S/C19H25N3O/c1-23-19-9-3-2-8-17(19)18(15-16-7-4-5-11-21-16)22-13-6-10-20-12-14-22/h2-5,7-9,11,18,20H,6,10,12-15H2,1H3
InChIKeyMQIBHYOCHWMACS-UHFFFAOYSA-N
XLogP2.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine
CID 3509612
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 4550938
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302441
1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
CID 4642854
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 4040392
4-[1,4-diazepan-1-yl-(2,3-dimethoxyphenyl)methyl]quinoline
CID 3750378
2-(2-pyrrolidin-1-ylpropyl)pyridine
CID 90965469
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane?
The IUPAC name of 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane (CID 3734748) is 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane?
The canonical SMILES for 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane is COc1ccccc1C(Cc1ccccn1)N1CCCNCC1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane?
The InChIKey is MQIBHYOCHWMACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-19-9-3-2-8-17(19)18(15-16-7-4-5-11-21-16)22-13-6-10-20-12-14-22/h2-5,7-9,11,18,20H,6,10,12-15H2,1H3.
What are the key properties of 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane?
1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane has a molecular weight of 311.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane is sourced from PubChem (CID 3734748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).