2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid

C10H19NO2 — CID 22103348

IUPAC2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid
SMILESCCN1CCC(CC(=O)O)C(C)C1
InChIInChI=1S/C10H19NO2/c1-3-11-5-4-9(6-10(12)13)8(2)7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyYWVRXCJGYQRYGB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds3

About 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid

2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid (PubChem CID 22103348) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid
PubChem CID22103348
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid
SMILESCCN1CCC(CC(=O)O)C(C)C1
InChIInChI=1S/C10H19NO2/c1-3-11-5-4-9(6-10(12)13)8(2)7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyYWVRXCJGYQRYGB-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
4-[ethyl-[(1-ethylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 122560579
2-(2,4-dimethylcyclohexyl)acetic acid
CID 64774330
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
2-[(2R,3R)-1-cyclopropyl-2-methylpyrrolidin-3-yl]acetic acid
CID 82407111
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid
CID 169177238

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid (CID 22103348) is 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid is CCN1CCC(CC(=O)O)C(C)C1.
What is the InChIKey of 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid?
The InChIKey is YWVRXCJGYQRYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-11-5-4-9(6-10(12)13)8(2)7-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid?
2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 22103348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).