2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid

C15H22N2O2 — CID 103261095

IUPAC2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid
SMILESCC1CCCC(C)N1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11-7-6-8-12(2)17(11)16-14(15(18)19)13-9-4-3-5-10-13/h3-5,9-12,14,16H,6-8H2,1-2H3,(H,18,19)
InChIKeyDRENTMCPRDKFDJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.58
Rot. Bonds4

About 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid

2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid (PubChem CID 103261095) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid
PubChem CID103261095
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid
SMILESCC1CCCC(C)N1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11-7-6-8-12(2)17(11)16-14(15(18)19)13-9-4-3-5-10-13/h3-5,9-12,14,16H,6-8H2,1-2H3,(H,18,19)
InChIKeyDRENTMCPRDKFDJ-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
CID 103261111
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
CID 5143900
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol
CID 83006350
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 40599711
N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 134270184
N-benzhydryl-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 117068368
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one
CID 75501620

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid (CID 103261095) is 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid is CC1CCCC(C)N1NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid?
The InChIKey is DRENTMCPRDKFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-6-8-12(2)17(11)16-14(15(18)19)13-9-4-3-5-10-13/h3-5,9-12,14,16H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid?
2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid has a molecular weight of 262.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103261095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).