2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol

C17H27NO2 — CID 66700957

IUPAC2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol
SMILESOCCC1(CCO)CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c19-13-9-17(10-14-20)7-4-11-18(12-8-17)15-16-5-2-1-3-6-16/h1-3,5-6,19-20H,4,7-15H2
InChIKeySVJIQSUGMIXPRM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.42
Rot. Bonds6

About 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol

2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol (PubChem CID 66700957) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol
PubChem CID66700957
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol
SMILESOCCC1(CCO)CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c19-13-9-17(10-14-20)7-4-11-18(12-8-17)15-16-5-2-1-3-6-16/h1-3,5-6,19-20H,4,7-15H2
InChIKeySVJIQSUGMIXPRM-UHFFFAOYSA-N
XLogP2.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylazepane
CID 10954328
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
1-benzylpyrrolidine;propane
CID 143692089
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
3,7,11-tribenzyl-3,7,11-triazabicyclo[11.2.2]heptadeca-1(15),13,16-triene
CID 101181237

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol?
The IUPAC name of 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol (CID 66700957) is 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol.
What is the SMILES notation for 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol?
The canonical SMILES for 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol is OCCC1(CCO)CCCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol?
The InChIKey is SVJIQSUGMIXPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-13-9-17(10-14-20)7-4-11-18(12-8-17)15-16-5-2-1-3-6-16/h1-3,5-6,19-20H,4,7-15H2.
What are the key properties of 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol?
2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol is sourced from PubChem (CID 66700957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).