2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid

C16H24N2O2 — CID 107164520

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid
SMILESCN1CCC(C)(CNC(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(8-10-18(2)11-9-16)12-17-14(15(19)20)13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3,(H,19,20)
InChIKeyRVYZGJOPWTVPGV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds5

About 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid (PubChem CID 107164520) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid
PubChem CID107164520
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid
SMILESCN1CCC(C)(CNC(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(8-10-18(2)11-9-16)12-17-14(15(19)20)13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3,(H,19,20)
InChIKeyRVYZGJOPWTVPGV-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid
CID 114096527
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851
4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
CID 107163202
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107162879
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
CID 55036831
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-phenylacetic acid
CID 116522706
(2S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 107164775
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107841534
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
CID 107162850

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid (CID 107164520) is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid is CN1CCC(C)(CNC(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid?
The InChIKey is RVYZGJOPWTVPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(8-10-18(2)11-9-16)12-17-14(15(19)20)13-6-4-3-5-7-13/h3-7,14,17H,8-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid?
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid has a molecular weight of 276.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 107164520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).