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

C16H22FNO2 — CID 63141029

IUPAC1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO2/c1-2-8-16(15(19)20)9-3-10-18(12-16)11-13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3,(H,19,20)
InChIKeyNNCDATOMSGONHH-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.29
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 63141029) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID63141029
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO2/c1-2-8-16(15(19)20)9-3-10-18(12-16)11-13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3,(H,19,20)
InChIKeyNNCDATOMSGONHH-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140936
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 97115296
1-[(3,4-dihydroxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 65068460
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
1-[(3-chloro-4-fluorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 81156835
1-[(3-fluoro-4-methylphenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068611
1-[(3,4-dichlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148676
1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140979
1-[(2,4-dichlorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140602
1-[(4-bromo-3-fluorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 81440690
1-[(5-bromo-3-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 104800382

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid (CID 63141029) is 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is NNCDATOMSGONHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-8-16(15(19)20)9-3-10-18(12-16)11-13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3,(H,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 279.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63141029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).