2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid

C16H23NO2 — CID 117019433

IUPAC2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
SMILESCC1(C)C(C(=O)O)CCCN1CCc1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2)14(15(18)19)9-6-11-17(16)12-10-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19)
InChIKeyRWNYKBXFCUPCPJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.80
Rot. Bonds4

About 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid

2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid (PubChem CID 117019433) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
PubChem CID117019433
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
SMILESCC1(C)C(C(=O)O)CCCN1CCc1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2)14(15(18)19)9-6-11-17(16)12-10-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19)
InChIKeyRWNYKBXFCUPCPJ-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 117016985
(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid
CID 174568694
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
CID 117019112
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429
2-[2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanamine
CID 117017552
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
CID 89344949

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid (CID 117019433) is 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid is CC1(C)C(C(=O)O)CCCN1CCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid?
The InChIKey is RWNYKBXFCUPCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)14(15(18)19)9-6-11-17(16)12-10-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid?
2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid has a molecular weight of 261.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117019433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).