1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid

C19H19BrFNO2 — CID 5027825

IUPAC1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc(F)cc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrFNO2/c20-16-5-1-13(2-6-16)18(14-3-7-17(21)8-4-14)22-11-9-15(10-12-22)19(23)24/h1-8,15,18H,9-12H2,(H,23,24)
InChIKeySASXITKVPCINJI-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.47
Rot. Bonds4

About 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid

1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 5027825) has the molecular formula C19H19BrFNO2 and a molecular weight of 392.27 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID5027825
Molecular FormulaC19H19BrFNO2
Molecular Weight392.27 g/mol
Exact Mass391.06
IUPAC Name1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc(F)cc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrFNO2/c20-16-5-1-13(2-6-16)18(14-3-7-17(21)8-4-14)22-11-9-15(10-12-22)19(23)24/h1-8,15,18H,9-12H2,(H,23,24)
InChIKeySASXITKVPCINJI-UHFFFAOYSA-N
XLogP4.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3896061
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(4-fluorophenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3961912
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
1-[(3,4-diethoxyphenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4588207
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3671647
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5161251
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
N-cyclopropyl-1-[(R)-(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 97014859
1-[1,3-benzothiazol-2-yl-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5185879
1-[(3-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4010746

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid (CID 5027825) is 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2ccc(F)cc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is SASXITKVPCINJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO2/c20-16-5-1-13(2-6-16)18(14-3-7-17(21)8-4-14)22-11-9-15(10-12-22)19(23)24/h1-8,15,18H,9-12H2,(H,23,24).
What are the key properties of 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid?
1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 392.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5027825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).