1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid

C18H21NO2 — CID 155289856

IUPAC1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
SMILESC[C@H](c1cccc2ccccc12)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyKGMWLBRRSONKQK-CYBMUJFWSA-N
MW283.37 g/mol
LogP3.70
Rot. Bonds3

About 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid

1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid (PubChem CID 155289856) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
PubChem CID155289856
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
SMILESC[C@H](c1cccc2ccccc12)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyKGMWLBRRSONKQK-CYBMUJFWSA-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

1-[(1R)-1-naphthalen-1-ylethyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 90670154
N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 176652835
1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid
CID 84751503
N-[(4-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 155891033
N-[(3-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 76853653
1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
CID 3875881
2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
CID 65069244
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
1-[(3,4-dichlorophenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid
CID 3912744
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
CID 95582678
N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 85470634
1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid (CID 155289856) is 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid is C[C@H](c1cccc2ccccc12)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid?
The InChIKey is KGMWLBRRSONKQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid?
1-[(1R)-1-naphthalen-1-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-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 155289856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).