2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid

C19H24N2O2 — CID 122042974

IUPAC2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O2/c1-20(14-19(22)23)18-8-10-21(11-9-18)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,22,23)
InChIKeyRANFSEXHCHPMHJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.82
Rot. Bonds5

About 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid

2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid (PubChem CID 122042974) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
PubChem CID122042974
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O2/c1-20(14-19(22)23)18-8-10-21(11-9-18)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,22,23)
InChIKeyRANFSEXHCHPMHJ-UHFFFAOYSA-N
XLogP2.82
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548256
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
2-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042871
N-methyl-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-N-phenylacetamide
CID 10067903
2-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042922
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
2-[methyl-[1-(naphthalen-2-ylmethylcarbamoyl)azepan-4-yl]amino]acetic acid
CID 122000969

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid (CID 122042974) is 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid is CN(CC(=O)O)C1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is RANFSEXHCHPMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20(14-19(22)23)18-8-10-21(11-9-18)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,22,23).
What are the key properties of 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid?
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 312.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122042974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).