(3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride

C22H24ClNO2 — CID 45260122

IUPAC(3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO2.ClH/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);1H/t16-;/m0./s1
InChIKeyBENGRRNITWKSPS-NTISSMGPSA-N
MW369.89 g/mol
LogP4.71
Rot. Bonds4

About (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride

(3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride (PubChem CID 45260122) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride
PubChem CID45260122
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name(3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO2.ClH/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);1H/t16-;/m0./s1
InChIKeyBENGRRNITWKSPS-NTISSMGPSA-N
XLogP4.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.71
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
(R)-1-(2-((2,2-Diphenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 24842617
(r)-n-(2-(3,3-Diphenyl-1-propyloxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 24842619
(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
(R)-N-(3-(2-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)ethoxy)-1-propyl)-3-piperidinecarboxylic acid hydrochloride
CID 45264600

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride (CID 45260122) is (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CCCN(CCC=C2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is BENGRRNITWKSPS-NTISSMGPSA-N. The full InChI is InChI=1S/C22H23NO2.ClH/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);1H/t16-;/m0./s1.
What are the key properties of (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride?
(3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45260122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).