2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid

C16H24N2O2 — CID 83982729

IUPAC2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid
SMILESCNC(C(=O)O)C1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-12-5-7-13(8-6-12)10-18-9-3-4-14(11-18)15(17-2)16(19)20/h5-8,14-15,17H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyBMVPDWZVULWZFN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds5

About 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid

2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid (PubChem CID 83982729) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid
PubChem CID83982729
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid
SMILESCNC(C(=O)O)C1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-12-5-7-13(8-6-12)10-18-9-3-4-14(11-18)15(17-2)16(19)20/h5-8,14-15,17H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyBMVPDWZVULWZFN-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid
CID 83982815
2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid
CID 83982898
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980821
2-methyl-3-[1-[(4-methylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 83982703
(3S)-1-[(4-bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid
CID 54608918
1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982699
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982741
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid (CID 83982729) is 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid is CNC(C(=O)O)C1CCCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is BMVPDWZVULWZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-7-13(8-6-12)10-18-9-3-4-14(11-18)15(17-2)16(19)20/h5-8,14-15,17H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid?
2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 276.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 83982729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).