2-(4-benzylazonan-1-yl)acetic acid

C17H25NO2 — CID 69364417

IUPAC2-(4-benzylazonan-1-yl)acetic acid
SMILESO=C(O)CN1CCCCCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c19-17(20)14-18-11-6-2-5-9-16(10-12-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20)
InChIKeyQFXWFIGEGUKVGC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-benzylazonan-1-yl)acetic acid

2-(4-benzylazonan-1-yl)acetic acid (PubChem CID 69364417) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4-benzylazonan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-benzylazonan-1-yl)acetic acid
PubChem CID69364417
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(4-benzylazonan-1-yl)acetic acid
SMILESO=C(O)CN1CCCCCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c19-17(20)14-18-11-6-2-5-9-16(10-12-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20)
InChIKeyQFXWFIGEGUKVGC-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62610935

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylazonan-1-yl)acetic acid?
The IUPAC name of 2-(4-benzylazonan-1-yl)acetic acid (CID 69364417) is 2-(4-benzylazonan-1-yl)acetic acid.
What is the SMILES notation for 2-(4-benzylazonan-1-yl)acetic acid?
The canonical SMILES for 2-(4-benzylazonan-1-yl)acetic acid is O=C(O)CN1CCCCCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylazonan-1-yl)acetic acid?
The InChIKey is QFXWFIGEGUKVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17(20)14-18-11-6-2-5-9-16(10-12-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20).
What are the key properties of 2-(4-benzylazonan-1-yl)acetic acid?
2-(4-benzylazonan-1-yl)acetic acid has a molecular weight of 275.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylazonan-1-yl)acetic acid is sourced from PubChem (CID 69364417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).