2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol

C15H24N2O2 — CID 61048843

IUPAC2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(CO)N2CCCNCC2)c1
InChIInChI=1S/C15H24N2O2/c1-2-19-14-6-3-5-13(11-14)15(12-18)17-9-4-7-16-8-10-17/h3,5-6,11,15-16,18H,2,4,7-10,12H2,1H3
InChIKeyZHGDKURYGLNTHQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.41
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol

2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol (PubChem CID 61048843) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
PubChem CID61048843
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(CO)N2CCCNCC2)c1
InChIInChI=1S/C15H24N2O2/c1-2-19-14-6-3-5-13(11-14)15(12-18)17-9-4-7-16-8-10-17/h3,5-6,11,15-16,18H,2,4,7-10,12H2,1H3
InChIKeyZHGDKURYGLNTHQ-UHFFFAOYSA-N
XLogP1.41
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
2-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanol
CID 61210767
1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
2-(1,4-diazepan-1-yl)-2-(3,5-dimethoxyphenyl)ethanol
CID 61050429
[3-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl] acetate;hydrochloride
CID 171183093
1-[(3-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3732221
1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3831792
1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3326663
1-[1,3-benzodioxol-5-yl-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3832556

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol (CID 61048843) is 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol is CCOc1cccc(C(CO)N2CCCNCC2)c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol?
The InChIKey is ZHGDKURYGLNTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-14-6-3-5-13(11-14)15(12-18)17-9-4-7-16-8-10-17/h3,5-6,11,15-16,18H,2,4,7-10,12H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol?
2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol is sourced from PubChem (CID 61048843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).