(3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid

C22H23NO2 — CID 15355218

IUPAC(3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO2/c24-22(25)16-7-5-13-23(15-16)14-6-12-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-12,16H,5-7,13-15H2,(H,24,25)/t16-/m1/s1
InChIKeySJJUKGVRGZOKFH-MRXNPFEDSA-N
MW333.43 g/mol
LogP4.29
Rot. Bonds4

About (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid

(3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid (PubChem CID 15355218) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid
PubChem CID15355218
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO2/c24-22(25)16-7-5-13-23(15-16)14-6-12-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-12,16H,5-7,13-15H2,(H,24,25)/t16-/m1/s1
InChIKeySJJUKGVRGZOKFH-MRXNPFEDSA-N
XLogP4.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Skf 89976
CID 92409
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CID 6917797
(R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid
CID 9797818
1-(4,4-Diphenyl-but-3-enyl)-4-hydroxy-piperidine-3-carboxylic acid
CID 10405703
1-[2-(3,3-Diphenyl-propoxy)-ethyl]-piperidine-3-carboxylic acid; hydrochloride
CID 24842620
(3R)-1-[2-[2,2-bis(2-methylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261563
Z-(R)-1-(2-((2-(2-Methylphenyl)-2-phenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 45261615
(R)-1-(2-((2,2-bis(2-Ethylphenyl)ethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 45261616
E-(R)-1-(2-((2-(2-Methylphenyl)-2-phenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 45261661
(r)-n-(3-(3,3-Bis(2-methylphenyl)-2-propen-1-yloxy)-1-propyl)-3-piperidinecarboxylic acid hydrochloride
CID 45262100
[1-(5',11'-Dihydrospiro[cyclopentane-1,10'-dibenzo[a,d]cyclohepten]-3-yl)-4-piperidinyl]acetic acid
CID 49836411

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid (CID 15355218) is (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid?
The InChIKey is SJJUKGVRGZOKFH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23NO2/c24-22(25)16-7-5-13-23(15-16)14-6-12-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-12,16H,5-7,13-15H2,(H,24,25)/t16-/m1/s1.
What are the key properties of (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid?
(3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 15355218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).