2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid

C18H17F2NO4 — CID 138014409

IUPAC2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(c1cccc2ccccc12)N1CCC(O)(C(F)(F)C(=O)O)CC1
InChIInChI=1S/C18H17F2NO4/c19-18(20,16(23)24)17(25)8-10-21(11-9-17)15(22)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,25H,8-11H2,(H,23,24)
InChIKeyPGIWGJRNLAZPFD-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.53
Rot. Bonds3

About 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid

2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 138014409) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
PubChem CID138014409
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(c1cccc2ccccc12)N1CCC(O)(C(F)(F)C(=O)O)CC1
InChIInChI=1S/C18H17F2NO4/c19-18(20,16(23)24)17(25)8-10-21(11-9-17)15(22)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,25H,8-11H2,(H,23,24)
InChIKeyPGIWGJRNLAZPFD-UHFFFAOYSA-N
XLogP2.53
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]-2,2-bis(2-methylphenoxy)acetic acid
CID 22399382
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 42191937
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
CID 67393097
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 35253095
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid (CID 138014409) is 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid is O=C(c1cccc2ccccc12)N1CCC(O)(C(F)(F)C(=O)O)CC1.
What is the InChIKey of 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is PGIWGJRNLAZPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4/c19-18(20,16(23)24)17(25)8-10-21(11-9-17)15(22)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,25H,8-11H2,(H,23,24).
What are the key properties of 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid?
2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 349.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 138014409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).