3-(4-methylphenoxy)piperidine-1-carboxylic acid

C13H17NO3 — CID 175309673

IUPAC3-(4-methylphenoxy)piperidine-1-carboxylic acid
SMILESCc1ccc(OC2CCCN(C(=O)O)C2)cc1
InChIInChI=1S/C13H17NO3/c1-10-4-6-11(7-5-10)17-12-3-2-8-14(9-12)13(15)16/h4-7,12H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyLHOFMJOYUUEQOS-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.52
Rot. Bonds2

About 3-(4-methylphenoxy)piperidine-1-carboxylic acid

3-(4-methylphenoxy)piperidine-1-carboxylic acid (PubChem CID 175309673) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(4-methylphenoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenoxy)piperidine-1-carboxylic acid
PubChem CID175309673
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(4-methylphenoxy)piperidine-1-carboxylic acid
SMILESCc1ccc(OC2CCCN(C(=O)O)C2)cc1
InChIInChI=1S/C13H17NO3/c1-10-4-6-11(7-5-10)17-12-3-2-8-14(9-12)13(15)16/h4-7,12H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyLHOFMJOYUUEQOS-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 175134415
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
CID 110614924
1-[3-(4-methylphenoxy)azetidin-1-yl]prop-2-en-1-one
CID 170199428
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
CID 143888790
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
3-[4-(2-hydroxy-4-methylphenyl)phthalazin-1-yl]oxypiperidine-1-carboxylic acid
CID 175387948
tert-butyl (3R)-3-[4-[(Z)-2-phenylethenyl]phenoxy]piperidine-1-carboxylate
CID 99902919
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide
CID 84611984
3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
CID 110605422

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)piperidine-1-carboxylic acid?
The IUPAC name of 3-(4-methylphenoxy)piperidine-1-carboxylic acid (CID 175309673) is 3-(4-methylphenoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(4-methylphenoxy)piperidine-1-carboxylic acid is Cc1ccc(OC2CCCN(C(=O)O)C2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)piperidine-1-carboxylic acid?
The InChIKey is LHOFMJOYUUEQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-4-6-11(7-5-10)17-12-3-2-8-14(9-12)13(15)16/h4-7,12H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of 3-(4-methylphenoxy)piperidine-1-carboxylic acid?
3-(4-methylphenoxy)piperidine-1-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 175309673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).