2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid

C16H23NO2 — CID 18928668

IUPAC2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
SMILESCCC1C(CC(=O)O)CCCN1Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-15-14(11-16(18)19)9-6-10-17(15)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyNWHGUCGJAYYKPT-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.15
Rot. Bonds5

About 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid

2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid (PubChem CID 18928668) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
PubChem CID18928668
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
SMILESCCC1C(CC(=O)O)CCCN1Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-15-14(11-16(18)19)9-6-10-17(15)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyNWHGUCGJAYYKPT-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-ethyl-N-methylpiperidin-3-amine
CID 83850528
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
ethyl 2-[1-benzyl-2-(phenylmethoxymethyl)pyrrolidin-3-yl]acetate
CID 100966203
2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol
CID 10568972
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
CID 124683732
methyl 1-benzyl-2-deuteriopyrrolidine-2-carboxylate
CID 132570943
1-(1-benzylpyrrolidin-2-yl)-2-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]ethanone
CID 158479239

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid (CID 18928668) is 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid is CCC1C(CC(=O)O)CCCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid?
The InChIKey is NWHGUCGJAYYKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-15-14(11-16(18)19)9-6-10-17(15)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,19).
What are the key properties of 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid?
2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid has a molecular weight of 261.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 18928668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).