1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid

C19H19F2NO2 — CID 3912751

IUPAC1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1
InChIInChI=1S/C19H19F2NO2/c20-16-5-1-3-14(11-16)18(15-4-2-6-17(21)12-15)22-9-7-13(8-10-22)19(23)24/h1-6,11-13,18H,7-10H2,(H,23,24)
InChIKeyZQZMUXKCKJZLQJ-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.85
Rot. Bonds4

About 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid

1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3912751) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3912751
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1
InChIInChI=1S/C19H19F2NO2/c20-16-5-1-3-14(11-16)18(15-4-2-6-17(21)12-15)22-9-7-13(8-10-22)19(23)24/h1-6,11-13,18H,7-10H2,(H,23,24)
InChIKeyZQZMUXKCKJZLQJ-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4006339
1-[(3-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4010746
1-[(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4554341
1-[(3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 5238168
1-[(2,4-dimethoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4015353
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
1-[(4-ethoxy-3-methoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3975318
1-[(5-bromo-2-ethoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5138377
1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid
CID 124703729
1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5027825
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5161251

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid (CID 3912751) is 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is ZQZMUXKCKJZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-16-5-1-3-14(11-16)18(15-4-2-6-17(21)12-15)22-9-7-13(8-10-22)19(23)24/h1-6,11-13,18H,7-10H2,(H,23,24).
What are the key properties of 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid?
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 331.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3912751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).