(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid

C15H21NO3 — CID 27378597

IUPAC(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
SMILESCCOc1ccc([C@@H](C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-19-13-8-6-12(7-9-13)14(15(17)18)16-10-4-3-5-11-16/h6-9,14H,2-5,10-11H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyPJRWSYZZXONDQJ-AWEZNQCLSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds5

About (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid

(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid (PubChem CID 27378597) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
PubChem CID27378597
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
SMILESCCOc1ccc([C@@H](C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-19-13-8-6-12(7-9-13)14(15(17)18)16-10-4-3-5-11-16/h6-9,14H,2-5,10-11H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyPJRWSYZZXONDQJ-AWEZNQCLSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
CID 62496811
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethanethioamide
CID 84748593
2-(4-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)acetic acid
CID 83978656
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-2-(4-phenylmethoxyphenyl)acetic acid
CID 97198243
3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
CID 112503903
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 82352342
1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 110353410

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid?
The IUPAC name of (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid (CID 27378597) is (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid is CCOc1ccc([C@@H](C(=O)O)N2CCCCC2)cc1.
What is the InChIKey of (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid?
The InChIKey is PJRWSYZZXONDQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-13-8-6-12(7-9-13)14(15(17)18)16-10-4-3-5-11-16/h6-9,14H,2-5,10-11H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid?
(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 27378597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).