4-piperidin-4-ylsulfanylaniline;dihydrochloride

C11H18Cl2N2S — CID 134817726

IUPAC4-piperidin-4-ylsulfanylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(SC2CCNCC2)cc1
InChIInChI=1S/C11H16N2S.2ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;;/h1-4,11,13H,5-8,12H2;2*1H
InChIKeyMTAGLDIWOTYATL-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.96
Rot. Bonds2

About 4-piperidin-4-ylsulfanylaniline;dihydrochloride

4-piperidin-4-ylsulfanylaniline;dihydrochloride (PubChem CID 134817726) has the molecular formula C11H18Cl2N2S and a molecular weight of 281.25 g/mol. Its IUPAC name is 4-piperidin-4-ylsulfanylaniline;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-4-ylsulfanylaniline;dihydrochloride
PubChem CID134817726
Molecular FormulaC11H18Cl2N2S
Molecular Weight281.25 g/mol
Exact Mass280.06
IUPAC Name4-piperidin-4-ylsulfanylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(SC2CCNCC2)cc1
InChIInChI=1S/C11H16N2S.2ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;;/h1-4,11,13H,5-8,12H2;2*1H
InChIKeyMTAGLDIWOTYATL-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)sulfanylpyrrolidine
CID 62328283
2-methyl-5-piperidin-4-ylsulfanylpyridine
CID 166120275
3-pyrrolidin-3-ylsulfanylaniline
CID 79134207
3-phenylsulfanylpyrrolidine
CID 18337182
4-(3-methylcyclohexyl)sulfanylaniline
CID 62722234
4-pyrrolidin-3-ylsulfanylbenzonitrile
CID 146510294
1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
CID 117374711
4-(2-bromophenyl)sulfanylpiperidine;hydrochloride
CID 66591387
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
bis(3-(3,4-dichlorophenyl)sulfanylpyrrolidine);hydrate;dihydrochloride
CID 131714712
4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride
CID 71755883
4-(2-aminocyclohexyl)sulfanylaniline
CID 106440974

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylsulfanylaniline;dihydrochloride?
The IUPAC name of 4-piperidin-4-ylsulfanylaniline;dihydrochloride (CID 134817726) is 4-piperidin-4-ylsulfanylaniline;dihydrochloride.
What is the SMILES notation for 4-piperidin-4-ylsulfanylaniline;dihydrochloride?
The canonical SMILES for 4-piperidin-4-ylsulfanylaniline;dihydrochloride is Cl.Cl.Nc1ccc(SC2CCNCC2)cc1.
What is the InChIKey of 4-piperidin-4-ylsulfanylaniline;dihydrochloride?
The InChIKey is MTAGLDIWOTYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S.2ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;;/h1-4,11,13H,5-8,12H2;2*1H.
What are the key properties of 4-piperidin-4-ylsulfanylaniline;dihydrochloride?
4-piperidin-4-ylsulfanylaniline;dihydrochloride has a molecular weight of 281.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylsulfanylaniline;dihydrochloride is sourced from PubChem (CID 134817726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).