1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid

C18H21NO3 — CID 122040667

IUPAC1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCOc1cc2ccccc2cc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C18H21NO3/c1-22-17-10-14-6-3-2-5-13(14)9-16(17)12-19-8-4-7-15(11-19)18(20)21/h2-3,5-6,9-10,15H,4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyYTZFKBLRHDWKDI-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.14
Rot. Bonds4

About 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid

1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 122040667) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
PubChem CID122040667
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCOc1cc2ccccc2cc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C18H21NO3/c1-22-17-10-14-6-3-2-5-13(14)9-16(17)12-19-8-4-7-15(11-19)18(20)21/h2-3,5-6,9-10,15H,4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyYTZFKBLRHDWKDI-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 91779862
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
1-[(2-ethyl-4,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166303450
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65053978
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5235973
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride
CID 163326491

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid (CID 122040667) is 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid is COc1cc2ccccc2cc1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is YTZFKBLRHDWKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-22-17-10-14-6-3-2-5-13(14)9-16(17)12-19-8-4-7-15(11-19)18(20)21/h2-3,5-6,9-10,15H,4,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid?
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122040667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).