(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid

C15H21FN2O2 — CID 68878588

IUPAC(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
SMILESCc1cc(F)ccc1[C@H]1C[C@@H](N(C)C)CCN1C(=O)O
InChIInChI=1S/C15H21FN2O2/c1-10-8-11(16)4-5-13(10)14-9-12(17(2)3)6-7-18(14)15(19)20/h4-5,8,12,14H,6-7,9H2,1-3H3,(H,19,20)/t12-,14+/m0/s1
InChIKeyYZBFLLFSHFCMED-GXTWGEPZSA-N
MW280.34 g/mol
LogP2.88
Rot. Bonds2

About (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid

(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid (PubChem CID 68878588) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
PubChem CID68878588
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
SMILESCc1cc(F)ccc1[C@H]1C[C@@H](N(C)C)CCN1C(=O)O
InChIInChI=1S/C15H21FN2O2/c1-10-8-11(16)4-5-13(10)14-9-12(17(2)3)6-7-18(14)15(19)20/h4-5,8,12,14H,6-7,9H2,1-3H3,(H,19,20)/t12-,14+/m0/s1
InChIKeyYZBFLLFSHFCMED-GXTWGEPZSA-N
XLogP2.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-[carbamoyl(methyl)amino]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878667
2-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 22037098
(2R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[2-fluoroethyl(methyl)amino]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 91186514
4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68592432
(2R,4S)-2-(4-fluoro-2-methylphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]piperidine-1-carboxylic acid
CID 21029362
(2R,4R)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 18439814
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(diethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(diethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;dihydrochloride
CID 161010270
2-(4-fluoro-2-methylphenyl)-3-formylpyrrolidine-1-carboxylic acid
CID 87973795
(2R,4S)-4-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(2R,4R)-4-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;tetrahydrochloride
CID 158701872
2-(4-fluoro-2-methylphenyl)-4-morpholin-4-ylpiperidine-1-carboxamide
CID 142832547
4-(benzylamino)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 91140649
(2R,4S)-4-(azepan-1-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(2S,4R)-4-(azepan-1-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;tetrahydrochloride
CID 162038775

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid (CID 68878588) is (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid is Cc1cc(F)ccc1[C@H]1C[C@@H](N(C)C)CCN1C(=O)O.
What is the InChIKey of (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid?
The InChIKey is YZBFLLFSHFCMED-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-8-11(16)4-5-13(10)14-9-12(17(2)3)6-7-18(14)15(19)20/h4-5,8,12,14H,6-7,9H2,1-3H3,(H,19,20)/t12-,14+/m0/s1.
What are the key properties of (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid?
(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid has a molecular weight of 280.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68878588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).