4-(3-methylphenoxy)piperidine-2-carboxylic acid

C13H17NO3 — CID 115040790

IUPAC4-(3-methylphenoxy)piperidine-2-carboxylic acid
SMILESCc1cccc(OC2CCNC(C(=O)O)C2)c1
InChIInChI=1S/C13H17NO3/c1-9-3-2-4-10(7-9)17-11-5-6-14-12(8-11)13(15)16/h2-4,7,11-12,14H,5-6,8H2,1H3,(H,15,16)
InChIKeyYDKWMCHEXVSXJQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.58
Rot. Bonds3

About 4-(3-methylphenoxy)piperidine-2-carboxylic acid

4-(3-methylphenoxy)piperidine-2-carboxylic acid (PubChem CID 115040790) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(3-methylphenoxy)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylphenoxy)piperidine-2-carboxylic acid
PubChem CID115040790
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(3-methylphenoxy)piperidine-2-carboxylic acid
SMILESCc1cccc(OC2CCNC(C(=O)O)C2)c1
InChIInChI=1S/C13H17NO3/c1-9-3-2-4-10(7-9)17-11-5-6-14-12(8-11)13(15)16/h2-4,7,11-12,14H,5-6,8H2,1H3,(H,15,16)
InChIKeyYDKWMCHEXVSXJQ-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenoxy)piperidine-2-carboxylic acid
CID 115043003
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
(3-methylphenoxy)cyclononane
CID 145391482
acetylene;3-methylbenzoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 144771150
5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 115030262
3-(3-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79648303
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
ethane;methyl 5-[4-(3-methylphenoxy)cyclohexyl]-4-oxopentanoate
CID 143150885

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3-methylphenoxy)piperidine-2-carboxylic acid (CID 115040790) is 4-(3-methylphenoxy)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methylphenoxy)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3-methylphenoxy)piperidine-2-carboxylic acid is Cc1cccc(OC2CCNC(C(=O)O)C2)c1.
What is the InChIKey of 4-(3-methylphenoxy)piperidine-2-carboxylic acid?
The InChIKey is YDKWMCHEXVSXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-3-2-4-10(7-9)17-11-5-6-14-12(8-11)13(15)16/h2-4,7,11-12,14H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 4-(3-methylphenoxy)piperidine-2-carboxylic acid?
4-(3-methylphenoxy)piperidine-2-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)piperidine-2-carboxylic acid is sourced from PubChem (CID 115040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).