2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid

C16H24N2O2 — CID 66567272

IUPAC2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
SMILESCCN(Cc1ccccc1)[C@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C16H24N2O2/c1-2-18(11-14-7-4-3-5-8-14)15-9-6-10-17(12-15)13-16(19)20/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyIOMAZBAETXFPRJ-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds6

About 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid

2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid (PubChem CID 66567272) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
PubChem CID66567272
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
SMILESCCN(Cc1ccccc1)[C@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C16H24N2O2/c1-2-18(11-14-7-4-3-5-8-14)15-9-6-10-17(12-15)13-16(19)20/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyIOMAZBAETXFPRJ-HNNXBMFYSA-N
XLogP2.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66567287
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
2-[(3S)-3-[phenylmethoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66566908
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174881651
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid
CID 66567790
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid (CID 66567272) is 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid is CCN(Cc1ccccc1)[C@H]1CCCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid?
The InChIKey is IOMAZBAETXFPRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-18(11-14-7-4-3-5-8-14)15-9-6-10-17(12-15)13-16(19)20/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid?
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid has a molecular weight of 276.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 66567272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).