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

C16H23NO2 — CID 117019429

IUPAC2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
SMILESCC(c1ccccc1)N1CCCC(C(=O)O)C1(C)C
InChIInChI=1S/C16H23NO2/c1-12(13-8-5-4-6-9-13)17-11-7-10-14(15(18)19)16(17,2)3/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyVAUTXJIKWRVDHM-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds3

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

2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid (PubChem CID 117019429) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
PubChem CID117019429
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
SMILESCC(c1ccccc1)N1CCCC(C(=O)O)C1(C)C
InChIInChI=1S/C16H23NO2/c1-12(13-8-5-4-6-9-13)17-11-7-10-14(15(18)19)16(17,2)3/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyVAUTXJIKWRVDHM-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-1-(1-phenylethyl)piperidin-3-yl]methanol
CID 117019776
2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117019433
(7aS)-3,3-dimethyl-2-[(1S)-1-phenylethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1-thione
CID 101384625
(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane
CID 102053741
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
2,2-dimethyl-1-(3-methylphenyl)piperidine-3-carboxylic acid
CID 117019440
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid (CID 117019429) is 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid is CC(c1ccccc1)N1CCCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid?
The InChIKey is VAUTXJIKWRVDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(13-8-5-4-6-9-13)17-11-7-10-14(15(18)19)16(17,2)3/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid?
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117019429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).