(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid

C15H21NO2 — CID 122124688

IUPAC(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CN2CCC[C@@H](C(=O)O)[C@H]2C)cc1
InChIInChI=1S/C15H21NO2/c1-11-5-7-13(8-6-11)10-16-9-3-4-14(12(16)2)15(17)18/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyUNHSRQONCQZWKA-TZMCWYRMSA-N
MW247.34 g/mol
LogP2.68
Rot. Bonds3

About (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 122124688) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID122124688
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(CN2CCC[C@@H](C(=O)O)[C@H]2C)cc1
InChIInChI=1S/C15H21NO2/c1-11-5-7-13(8-6-11)10-16-9-3-4-14(12(16)2)15(17)18/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyUNHSRQONCQZWKA-TZMCWYRMSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-1-[(4-tert-butylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124631
(2R,3R)-1-[(4-cyclopropylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125097
(2R,3R)-1-[(3-bromo-4-methylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124911
(2R,3R)-1-(1-benzofuran-5-ylmethyl)-2-methylpiperidine-3-carboxylic acid
CID 122125043
(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124651
(2R,3R)-1-[(2-chlorophenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124676
(2S,3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 167949979
(2R,3R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124728
1-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382615
(2S,3S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124642
(2S,3S)-2-methyl-1-[2-methyl-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122116521
(2R,3R)-1-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124962

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid (CID 122124688) is (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid is Cc1ccc(CN2CCC[C@@H](C(=O)O)[C@H]2C)cc1.
What is the InChIKey of (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is UNHSRQONCQZWKA-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-7-13(8-6-11)10-16-9-3-4-14(12(16)2)15(17)18/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,17,18)/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122124688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).