2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid

C20H29NO3 — CID 23616869

IUPAC2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid
SMILESCCN1CCCC(C(O)(C(=O)O)C2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C20H29NO3/c1-2-21-14-8-11-17(15-21)20(24,18(22)23)19(12-6-7-13-19)16-9-4-3-5-10-16/h3-5,9-10,17,24H,2,6-8,11-15H2,1H3,(H,22,23)
InChIKeyJEDZTPPFSWINKA-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.05
Rot. Bonds5

About 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid

2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid (PubChem CID 23616869) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid
PubChem CID23616869
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid
SMILESCCN1CCCC(C(O)(C(=O)O)C2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C20H29NO3/c1-2-21-14-8-11-17(15-21)20(24,18(22)23)19(12-6-7-13-19)16-9-4-3-5-10-16/h3-5,9-10,17,24H,2,6-8,11-15H2,1H3,(H,22,23)
InChIKeyJEDZTPPFSWINKA-UHFFFAOYSA-N
XLogP3.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid
CID 105460001
2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid
CID 82624230
2-(1-phenylcyclopentyl)propan-2-ol
CID 131445043
methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97151123
2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982971
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809339
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809340
1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 51099492

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid (CID 23616869) is 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid is CCN1CCCC(C(O)(C(=O)O)C2(c3ccccc3)CCCC2)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid?
The InChIKey is JEDZTPPFSWINKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-2-21-14-8-11-17(15-21)20(24,18(22)23)19(12-6-7-13-19)16-9-4-3-5-10-16/h3-5,9-10,17,24H,2,6-8,11-15H2,1H3,(H,22,23).
What are the key properties of 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid?
2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid has a molecular weight of 331.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid is sourced from PubChem (CID 23616869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).