2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid

C19H27FN2O4 — CID 72940551

IUPAC2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid
SMILESCOc1cc(F)ccc1C(C(=O)O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C19H27FN2O4/c1-25-17-12-15(20)2-3-16(17)18(19(23)24)22-6-4-14(5-7-22)13-21-8-10-26-11-9-21/h2-3,12,14,18H,4-11,13H2,1H3,(H,23,24)
InChIKeyKVHQJLHLQYIRGR-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.00
Rot. Bonds6

About 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid

2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid (PubChem CID 72940551) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid
PubChem CID72940551
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid
SMILESCOc1cc(F)ccc1C(C(=O)O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C19H27FN2O4/c1-25-17-12-15(20)2-3-16(17)18(19(23)24)22-6-4-14(5-7-22)13-21-8-10-26-11-9-21/h2-3,12,14,18H,4-11,13H2,1H3,(H,23,24)
InChIKeyKVHQJLHLQYIRGR-UHFFFAOYSA-N
XLogP2.00
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxy-benzyl)-piperidine-2-carboxylic acid
CID 3929628
(2S)-2-[4-[[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 71451391
(2S)-2-[4-[[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 71456722
Ethyl 1-(2,5-dimethoxybenzyl)-2-piperidinecarboxylate
CID 2838246
{4-[2-(2-Phenylethoxy)benzyl]-3-morpholinyl}acetic acid
CID 56917100
(4-Fluoro-2-methoxyphenyl)[4-(3-fluorophenoxy)piperidin-1-YL]acetic acid
CID 72852921
2-(2-Ethoxyphenyl)-2-[methyl(oxan-4-ylmethyl)amino]acetic acid
CID 72855241
(2-Fluoro-6-isopropoxyphenyl)(4-methyl-1,4-diazepan-1-YL)acetic acid
CID 72868277
(2-Fluoro-6-isopropoxyphenyl)(pyrrolidin-1-yl)acetic acid
CID 72872296
(3-Fluoro-4-methoxyphenyl)[4-(2-methoxyethoxy)piperidin-1-YL]acetic acid
CID 72872485
(4-Cyclohexylpiperazin-1-YL)(4-fluoro-2-methoxyphenyl)acetic acid
CID 72875535
(4-Cyclopentyl-1,4-diazepan-1-YL)(5-fluoro-2-methoxyphenyl)acetic acid
CID 72887091

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid (CID 72940551) is 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid is COc1cc(F)ccc1C(C(=O)O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid?
The InChIKey is KVHQJLHLQYIRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-25-17-12-15(20)2-3-16(17)18(19(23)24)22-6-4-14(5-7-22)13-21-8-10-26-11-9-21/h2-3,12,14,18H,4-11,13H2,1H3,(H,23,24).
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid?
2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid has a molecular weight of 366.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 72940551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).