(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride

C20H23ClFNO2 — CID 71237648

IUPAC(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCN(CCc2ccccc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2.ClH/c21-17-8-6-16(7-9-17)19-14-22(13-11-18(19)20(23)24)12-10-15-4-2-1-3-5-15;/h1-9,18-19H,10-14H2,(H,23,24);1H/t18-,19+;/m1./s1
InChIKeyTZQRUBMPNKASML-VOMIJIAVSA-N
MW363.86 g/mol
LogP3.98
Rot. Bonds5

About (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride

(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 71237648) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID71237648
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC Name(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCN(CCc2ccccc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2.ClH/c21-17-8-6-16(7-9-17)19-14-22(13-11-18(19)20(23)24)12-10-15-4-2-1-3-5-15;/h1-9,18-19H,10-14H2,(H,23,24);1H/t18-,19+;/m1./s1
InChIKeyTZQRUBMPNKASML-VOMIJIAVSA-N
XLogP3.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 73012385
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
N-(4-chlorobenzenecarbothioyl)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 89396419
1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807
[(3S,4S)-1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)piperidin-4-yl]-(3,3-diphenylazetidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 90654452
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110629306
(3R,4R)-1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237779
1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
CID 67463353
3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine
CID 91295133
1-[2-(1-benzyl-2,4-dioxoquinazolin-3-yl)ethyl]-4-(4-fluorophenyl)piperidine-3-carboxylic acid
CID 118691419
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3S,4S)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine;2,2,2-trifluoroacetic acid
CID 90654456

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride (CID 71237648) is (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCN(CCc2ccccc2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is TZQRUBMPNKASML-VOMIJIAVSA-N. The full InChI is InChI=1S/C20H22FNO2.ClH/c21-17-8-6-16(7-9-17)19-14-22(13-11-18(19)20(23)24)12-10-15-4-2-1-3-5-15;/h1-9,18-19H,10-14H2,(H,23,24);1H/t18-,19+;/m1./s1.
What are the key properties of (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride?
(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 363.86 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 71237648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).