2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid

C22H27FN2O2 — CID 175657128

IUPAC2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid
SMILESCc1cccc(N2CCC(N(CCc3ccccc3F)CC(=O)O)CC2)c1
InChIInChI=1S/C22H27FN2O2/c1-17-5-4-7-20(15-17)24-13-10-19(11-14-24)25(16-22(26)27)12-9-18-6-2-3-8-21(18)23/h2-8,15,19H,9-14,16H2,1H3,(H,26,27)
InChIKeyALWWGMBKLJCIMB-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.73
Rot. Bonds7

About 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid

2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid (PubChem CID 175657128) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid
PubChem CID175657128
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid
SMILESCc1cccc(N2CCC(N(CCc3ccccc3F)CC(=O)O)CC2)c1
InChIInChI=1S/C22H27FN2O2/c1-17-5-4-7-20(15-17)24-13-10-19(11-14-24)25(16-22(26)27)12-9-18-6-2-3-8-21(18)23/h2-8,15,19H,9-14,16H2,1H3,(H,26,27)
InChIKeyALWWGMBKLJCIMB-UHFFFAOYSA-N
XLogP3.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 110161312
2-[2-(4-chlorophenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161320
2-[2-(4-chlorophenyl)ethyl-(1-phenylpiperidin-4-yl)amino]acetic acid
CID 110161318
2-[2-(3,4-dimethoxyphenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161358
2-[2-(4-chlorophenyl)ethyl-[1-(3-methoxyphenyl)piperidin-4-yl]amino]acetic acid
CID 110161321
N-[2-(2-fluorophenyl)ethyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108948236
3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
CID 119135037
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
CID 117004930
2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid
CID 110161331
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid (CID 175657128) is 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid is Cc1cccc(N2CCC(N(CCc3ccccc3F)CC(=O)O)CC2)c1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is ALWWGMBKLJCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-17-5-4-7-20(15-17)24-13-10-19(11-14-24)25(16-22(26)27)12-9-18-6-2-3-8-21(18)23/h2-8,15,19H,9-14,16H2,1H3,(H,26,27).
What are the key properties of 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid?
2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 370.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 175657128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).