(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid

C22H26N2O3 — CID 11079073

IUPAC(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCOCCn2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C22H26N2O3/c25-22(26)17-6-5-11-23(16-17)12-14-27-15-13-24-20-9-3-1-7-18(20)19-8-2-4-10-21(19)24/h1-4,7-10,17H,5-6,11-16H2,(H,25,26)/t17-/m1/s1
InChIKeyHYOYZVXNWSKXSV-QGZVFWFLSA-N
MW366.46 g/mol
LogP3.61
Rot. Bonds7

About (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid

(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid (PubChem CID 11079073) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
PubChem CID11079073
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCOCCn2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C22H26N2O3/c25-22(26)17-6-5-11-23(16-17)12-14-27-15-13-24-20-9-3-1-7-18(20)19-8-2-4-10-21(19)24/h1-4,7-10,17H,5-6,11-16H2,(H,25,26)/t17-/m1/s1
InChIKeyHYOYZVXNWSKXSV-QGZVFWFLSA-N
XLogP3.61
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole
CID 18593135
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324
(3R)-1-[2-[2-[2-(N-phenylanilino)ethoxy]ethoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265298
1-[2-[4-(N-phenylanilino)butoxy]ethyl]piperidine-3-carboxylic acid
CID 21266393
(3R)-1-[2-(2-phenoxazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 10915935
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
(3R)-1-[2-(2-phenothiazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 24842634
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
(3R)-1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidine-3-carboxylic acid
CID 54147952
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
CID 10620277
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
CID 54444555

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid (CID 11079073) is (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCOCCn2c3ccccc3c3ccccc32)C1.
What is the InChIKey of (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid?
The InChIKey is HYOYZVXNWSKXSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(26)17-6-5-11-23(16-17)12-14-27-15-13-24-20-9-3-1-7-18(20)19-8-2-4-10-21(19)24/h1-4,7-10,17H,5-6,11-16H2,(H,25,26)/t17-/m1/s1.
What are the key properties of (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 11079073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).