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

C15H21NO2 — CID 10037618

IUPAC1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESCN1CCC(CCc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C15H21NO2/c1-16-11-9-15(10-12-16,14(17)18)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,18)
InChIKeyYLWYSSULAYIELN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds4

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

1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid (PubChem CID 10037618) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
PubChem CID10037618
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESCN1CCC(CCc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C15H21NO2/c1-16-11-9-15(10-12-16,14(17)18)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,18)
InChIKeyYLWYSSULAYIELN-UHFFFAOYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
1-furo[3,2-c]pyridin-4-yl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 56865178
4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid
CID 56880059
1-methyl-4-[2-oxo-2-(N-phenylanilino)ethyl]piperidine-4-carboxylic acid
CID 170414123
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
4-(fluoromethyl)-1-methylpiperidine-4-carboxylic acid
CID 83816581

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid (CID 10037618) is 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid is CN1CCC(CCc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid?
The InChIKey is YLWYSSULAYIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-11-9-15(10-12-16,14(17)18)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,18).
What are the key properties of 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid?
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 10037618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).