1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid

C19H23NO2 — CID 84751503

IUPAC1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid
SMILESCC(Cc1cccc2ccccc12)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H23NO2/c1-14(20-11-9-16(10-12-20)19(21)22)13-17-7-4-6-15-5-2-3-8-18(15)17/h2-8,14,16H,9-13H2,1H3,(H,21,22)
InChIKeyGQCCEQPRUPUYMN-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.57
Rot. Bonds4

About 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid

1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid (PubChem CID 84751503) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid
PubChem CID84751503
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid
SMILESCC(Cc1cccc2ccccc12)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H23NO2/c1-14(20-11-9-16(10-12-20)19(21)22)13-17-7-4-6-15-5-2-3-8-18(15)17/h2-8,14,16H,9-13H2,1H3,(H,21,22)
InChIKeyGQCCEQPRUPUYMN-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 82065309
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[1-(4-methylsulfanylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751499
1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751510
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
naphthalen-1-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 144874180
2,3,4-tris(3-methyl-1-naphthalen-1-ylbutan-2-yl)cyclobutane-1-carboxylic acid
CID 70090772
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid (CID 84751503) is 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid is CC(Cc1cccc2ccccc12)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid?
The InChIKey is GQCCEQPRUPUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(20-11-9-16(10-12-20)19(21)22)13-17-7-4-6-15-5-2-3-8-18(15)17/h2-8,14,16H,9-13H2,1H3,(H,21,22).
What are the key properties of 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid?
1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 84751503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).