4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine

C19H25N3OS — CID 54164808

IUPAC4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
SMILESNc1ccc(Sc2ccccc2OCCC2CCCCN2)cc1N
InChIInChI=1S/C19H25N3OS/c20-16-9-8-15(13-17(16)21)24-19-7-2-1-6-18(19)23-12-10-14-5-3-4-11-22-14/h1-2,6-9,13-14,22H,3-5,10-12,20-21H2
InChIKeyOQWWGCITMPQIPT-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.91
Rot. Bonds6

About 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine

4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine (PubChem CID 54164808) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
PubChem CID54164808
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
SMILESNc1ccc(Sc2ccccc2OCCC2CCCCN2)cc1N
InChIInChI=1S/C19H25N3OS/c20-16-9-8-15(13-17(16)21)24-19-7-2-1-6-18(19)23-12-10-14-5-3-4-11-22-14/h1-2,6-9,13-14,22H,3-5,10-12,20-21H2
InChIKeyOQWWGCITMPQIPT-UHFFFAOYSA-N
XLogP3.91
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321567
(2S)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321565
2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 82354053
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine?
The IUPAC name of 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine (CID 54164808) is 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine.
What is the SMILES notation for 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine?
The canonical SMILES for 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine is Nc1ccc(Sc2ccccc2OCCC2CCCCN2)cc1N.
What is the InChIKey of 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine?
The InChIKey is OQWWGCITMPQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c20-16-9-8-15(13-17(16)21)24-19-7-2-1-6-18(19)23-12-10-14-5-3-4-11-22-14/h1-2,6-9,13-14,22H,3-5,10-12,20-21H2.
What are the key properties of 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine?
4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine has a molecular weight of 343.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-piperidin-2-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine is sourced from PubChem (CID 54164808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).