4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid

C21H25NO3 — CID 56894887

IUPAC4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25NO3/c1-17-7-9-19(10-8-17)25-21(20(23)24)12-15-22(16-13-21)14-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,24)
InChIKeyDMGFMEWAKODWOC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds6

About 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid

4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid (PubChem CID 56894887) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid
PubChem CID56894887
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25NO3/c1-17-7-9-19(10-8-17)25-21(20(23)24)12-15-22(16-13-21)14-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,24)
InChIKeyDMGFMEWAKODWOC-UHFFFAOYSA-N
XLogP3.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenoxy)-1-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 70736989
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 70610544
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
1-[(4-cyanophenyl)methyl]-4-phenoxypiperidine-4-carboxylic acid
CID 56892141
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
4-(4-chlorophenoxy)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylic acid
CID 70738535
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid (CID 56894887) is 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid is Cc1ccc(OC2(C(=O)O)CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The InChIKey is DMGFMEWAKODWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-17-7-9-19(10-8-17)25-21(20(23)24)12-15-22(16-13-21)14-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,24).
What are the key properties of 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid?
4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56894887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).