1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid

C18H21NO2 — CID 65054272

IUPAC1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
SMILESCC(c1ccc2ccccc2c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H21NO2/c1-13(19-10-8-15(9-11-19)18(20)21)16-7-6-14-4-2-3-5-17(14)12-16/h2-7,12-13,15H,8-11H2,1H3,(H,20,21)
InChIKeyKSNFPPADVIFVII-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.70
Rot. Bonds3

About 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid

1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid (PubChem CID 65054272) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
PubChem CID65054272
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
SMILESCC(c1ccc2ccccc2c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H21NO2/c1-13(19-10-8-15(9-11-19)18(20)21)16-7-6-14-4-2-3-5-17(14)12-16/h2-7,12-13,15H,8-11H2,1H3,(H,20,21)
InChIKeyKSNFPPADVIFVII-UHFFFAOYSA-N
XLogP3.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4-carboxamide
CID 94651891
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
1-[(3-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3895314
1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 65056333
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
1-[(2,4-difluorophenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 5029274
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid
CID 119907237
dimethyl 1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4,4-dicarboxylate
CID 46854256

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid (CID 65054272) is 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid is CC(c1ccc2ccccc2c1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid?
The InChIKey is KSNFPPADVIFVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(19-10-8-15(9-11-19)18(20)21)16-7-6-14-4-2-3-5-17(14)12-16/h2-7,12-13,15H,8-11H2,1H3,(H,20,21).
What are the key properties of 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid?
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65054272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).