1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid

C20H22FNO2 — CID 4693784

IUPAC1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1C(c1ccc(F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C20H22FNO2/c1-14-4-2-3-5-18(14)19(15-6-8-17(21)9-7-15)22-12-10-16(11-13-22)20(23)24/h2-9,16,19H,10-13H2,1H3,(H,23,24)
InChIKeyDVOGFKFZASZJKP-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.02
Rot. Bonds4

About 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid

1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 4693784) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID4693784
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1C(c1ccc(F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C20H22FNO2/c1-14-4-2-3-5-18(14)19(15-6-8-17(21)9-7-15)22-12-10-16(11-13-22)20(23)24/h2-9,16,19H,10-13H2,1H3,(H,23,24)
InChIKeyDVOGFKFZASZJKP-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880
1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[(4-fluorophenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3961912
1-[(3,4-diethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4539522
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790
1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3889238
1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5027825
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3896061
1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5031418
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[(2-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid
CID 5138968
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid (CID 4693784) is 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid is Cc1ccccc1C(c1ccc(F)cc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is DVOGFKFZASZJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-14-4-2-3-5-18(14)19(15-6-8-17(21)9-7-15)22-12-10-16(11-13-22)20(23)24/h2-9,16,19H,10-13H2,1H3,(H,23,24).
What are the key properties of 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 327.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4693784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).