2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid

C17H23NO2 — CID 82093557

IUPAC2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
SMILESO=C(O)C(c1ccc2c(c1)CCCC2)N1CCCCC1
InChIInChI=1S/C17H23NO2/c19-17(20)16(18-10-4-1-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h8-9,12,16H,1-7,10-11H2,(H,19,20)
InChIKeyWTCMJVXTPVQAGV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.18
Rot. Bonds3

About 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid

2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid (PubChem CID 82093557) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
PubChem CID82093557
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
SMILESO=C(O)C(c1ccc2c(c1)CCCC2)N1CCCCC1
InChIInChI=1S/C17H23NO2/c19-17(20)16(18-10-4-1-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h8-9,12,16H,1-7,10-11H2,(H,19,20)
InChIKeyWTCMJVXTPVQAGV-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
CID 82485168
2-(azepan-1-yl)-2-(3-bromo-4-fluorophenyl)acetic acid
CID 54914626
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 116824978
2-(azepan-1-yl)-2-(3-cyclopropylphenyl)acetic acid
CID 79980420
2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid
CID 106531817
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
2-(3-nitrophenyl)-2-piperidin-1-ylacetic acid
CID 84747846
2-(1-methylpyrrol-3-yl)-2-piperidin-1-ylacetic acid
CID 82473039
(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid (CID 82093557) is 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid is O=C(O)C(c1ccc2c(c1)CCCC2)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The InChIKey is WTCMJVXTPVQAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20)16(18-10-4-1-5-11-18)15-9-8-13-6-2-3-7-14(13)12-15/h8-9,12,16H,1-7,10-11H2,(H,19,20).
What are the key properties of 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid has a molecular weight of 273.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 82093557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).