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

C16H24N2O2 — CID 97468799

IUPAC(2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(CN2CC[C@H](N(C)C)C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H24N2O2/c1-12-4-6-13(7-5-12)11-18-9-8-14(17(2)3)10-15(18)16(19)20/h4-7,14-15H,8-11H2,1-3H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyHQRWHMJJEVALCL-LSDHHAIUSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds4

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

(2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 97468799) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID97468799
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(CN2CC[C@H](N(C)C)C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H24N2O2/c1-12-4-6-13(7-5-12)11-18-9-8-14(17(2)3)10-15(18)16(19)20/h4-7,14-15H,8-11H2,1-3H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyHQRWHMJJEVALCL-LSDHHAIUSA-N
XLogP1.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid (CID 97468799) is (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid is Cc1ccc(CN2CC[C@H](N(C)C)C[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is HQRWHMJJEVALCL-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-6-13(7-5-12)11-18-9-8-14(17(2)3)10-15(18)16(19)20/h4-7,14-15H,8-11H2,1-3H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid?
(2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(dimethylamino)-1-[(4-methylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 97468799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).