2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid

C16H24N2O2 — CID 106821073

IUPAC2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid
SMILESCC(CN(C)C1CCN(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C16H24N2O2/c1-13(16(19)20)12-17(2)14-8-10-18(11-9-14)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,19,20)
InChIKeyMOIFLFYHCKLIHC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds5

About 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid

2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid (PubChem CID 106821073) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid
PubChem CID106821073
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid
SMILESCC(CN(C)C1CCN(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C16H24N2O2/c1-13(16(19)20)12-17(2)14-8-10-18(11-9-14)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,19,20)
InChIKeyMOIFLFYHCKLIHC-UHFFFAOYSA-N
XLogP2.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(2-carboxyethyl)anilino]propanoic acid
CID 658627
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beta-Alanine, N-ethyl-N-phenyl-, methyl ester
CID 88966
N-Boc Norfentanyl
CID 129076809
3-(Ethyl(phenyl)amino)propanoic acid
CID 910534
methyl 3-[4-(N-propanoylanilino)piperidin-1-yl]propanoate
CID 14873741
(3R)-1-[5-(N-phenylanilino)pentyl]piperidine-3-carboxylic acid;hydrochloride
CID 45262108
(3R)-1-[4-(N-phenylanilino)butyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265225
N-Phenyl-N-[1-(prop-2-en-1-yl)piperidin-4-yl]propanamide
CID 15075634
beta-Alanine, N-(3-methoxy-3-oxopropyl)-N-phenyl-, methyl ester
CID 104594
N-Propionyl norfentanyl
CID 156588936
3-[4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 14873785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid (CID 106821073) is 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid is CC(CN(C)C1CCN(c2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid?
The InChIKey is MOIFLFYHCKLIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(16(19)20)12-17(2)14-8-10-18(11-9-14)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid?
2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 106821073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).