1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid

C22H20F2N2O2 — CID 3622367

IUPAC1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc(F)cc2F)c2ccnc3ccccc23)CC1
InChIInChI=1S/C22H20F2N2O2/c23-15-5-6-18(19(24)13-15)21(26-11-8-14(9-12-26)22(27)28)17-7-10-25-20-4-2-1-3-16(17)20/h1-7,10,13-14,21H,8-9,11-12H2,(H,27,28)
InChIKeyNFNGUFDOSRLFTE-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.40
Rot. Bonds4

About 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid

1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 3622367) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
PubChem CID3622367
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc(F)cc2F)c2ccnc3ccccc23)CC1
InChIInChI=1S/C22H20F2N2O2/c23-15-5-6-18(19(24)13-15)21(26-11-8-14(9-12-26)22(27)28)17-7-10-25-20-4-2-1-3-16(17)20/h1-7,10,13-14,21H,8-9,11-12H2,(H,27,28)
InChIKeyNFNGUFDOSRLFTE-UHFFFAOYSA-N
XLogP4.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3264947
1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3438294
1-[(2,4-difluorophenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 5029274
1-[(2,4-difluorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5027828
1-[(2,4-difluorophenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 4619215
1-[(5-chloro-2-methoxyphenyl)-(2,4-difluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4267034
1-[(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3887311
1-[(2,4-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3913755
1-[(2,4-difluorophenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4588989
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,4-difluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4011741
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
CID 3875881

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid (CID 3622367) is 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2ccc(F)cc2F)c2ccnc3ccccc23)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is NFNGUFDOSRLFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c23-15-5-6-18(19(24)13-15)21(26-11-8-14(9-12-26)22(27)28)17-7-10-25-20-4-2-1-3-16(17)20/h1-7,10,13-14,21H,8-9,11-12H2,(H,27,28).
What are the key properties of 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 382.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3622367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).