1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride

C16H23ClFNO2 — CID 67463353

IUPAC1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCC(C)(C)N1CCC(C(=O)O)C(c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C16H22FNO2.ClH/c1-16(2,3)18-9-8-13(15(19)20)14(10-18)11-4-6-12(17)7-5-11;/h4-7,13-14H,8-10H2,1-3H3,(H,19,20);1H
InChIKeyDBFJHSCCHCIUMY-UHFFFAOYSA-N
MW315.82 g/mol
LogP3.54
Rot. Bonds2

About 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride

1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 67463353) has the molecular formula C16H23ClFNO2 and a molecular weight of 315.82 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID67463353
Molecular FormulaC16H23ClFNO2
Molecular Weight315.82 g/mol
Exact Mass315.14
IUPAC Name1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCC(C)(C)N1CCC(C(=O)O)C(c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C16H22FNO2.ClH/c1-16(2,3)18-9-8-13(15(19)20)14(10-18)11-4-6-12(17)7-5-11;/h4-7,13-14H,8-10H2,1-3H3,(H,19,20);1H
InChIKeyDBFJHSCCHCIUMY-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237779
1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 67357441
(3S,4R)-4-(4-fluorophenyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 138628333
(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237648
1-tert-butyl-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 72815396
(3S,4S)-4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51557047
1-tert-butyl-4-(3,5-difluoro-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 145446628
[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidin-3-yl]-[(3S,5R)-4-(4-fluorophenyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 171770727
(3S,4R)-1-[2-[cyclopentyl(methyl)amino]acetyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70726235
(2S,3R)-1-acetyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 56926799
2-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 67124504
(3S,4R)-4-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 70035367

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride (CID 67463353) is 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride is CC(C)(C)N1CCC(C(=O)O)C(c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is DBFJHSCCHCIUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2.ClH/c1-16(2,3)18-9-8-13(15(19)20)14(10-18)11-4-6-12(17)7-5-11;/h4-7,13-14H,8-10H2,1-3H3,(H,19,20);1H.
What are the key properties of 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride?
1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67463353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).