(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid

C18H21NO2 — CID 68654438

IUPAC(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
SMILESCC1[C@H](C(=O)O)[C@H](c2ccc3ccccc3c2)CCN1C
InChIInChI=1S/C18H21NO2/c1-12-17(18(20)21)16(9-10-19(12)2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16-17H,9-10H2,1-2H3,(H,20,21)/t12?,16-,17-/m0/s1
InChIKeyCJVKNDCHOHYJSH-XZNKJRRYSA-N
MW283.37 g/mol
LogP3.35
Rot. Bonds2

About (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid

(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid (PubChem CID 68654438) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
PubChem CID68654438
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
SMILESCC1[C@H](C(=O)O)[C@H](c2ccc3ccccc3c2)CCN1C
InChIInChI=1S/C18H21NO2/c1-12-17(18(20)21)16(9-10-19(12)2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16-17H,9-10H2,1-2H3,(H,20,21)/t12?,16-,17-/m0/s1
InChIKeyCJVKNDCHOHYJSH-XZNKJRRYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid
CID 71398204
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone
CID 167953061
methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
CID 10660645
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
2-methyl-3-naphthalen-2-ylcyclopentan-1-amine
CID 64909840
[(1R,2S,3S,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]-naphthalen-2-ylmethanone
CID 101014500
1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 133124285
2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
CID 132563382

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid (CID 68654438) is (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid is CC1[C@H](C(=O)O)[C@H](c2ccc3ccccc3c2)CCN1C.
What is the InChIKey of (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid?
The InChIKey is CJVKNDCHOHYJSH-XZNKJRRYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-17(18(20)21)16(9-10-19(12)2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16-17H,9-10H2,1-2H3,(H,20,21)/t12?,16-,17-/m0/s1.
What are the key properties of (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid?
(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 68654438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).