1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride

C10H21Cl2N3S — CID 13018883

IUPAC1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride
SMILESC1CCN(CCSC2=NCCN2)CC1.Cl.Cl
InChIInChI=1S/C10H19N3S.2ClH/c1-2-6-13(7-3-1)8-9-14-10-11-4-5-12-10;;/h1-9H2,(H,11,12);2*1H
InChIKeyVNSUJGRYIFYZNH-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.01
Rot. Bonds3

About 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride

1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride (PubChem CID 13018883) has the molecular formula C10H21Cl2N3S and a molecular weight of 286.27 g/mol. Its IUPAC name is 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride
PubChem CID13018883
Molecular FormulaC10H21Cl2N3S
Molecular Weight286.27 g/mol
Exact Mass285.08
IUPAC Name1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride
SMILESC1CCN(CCSC2=NCCN2)CC1.Cl.Cl
InChIInChI=1S/C10H19N3S.2ClH/c1-2-6-13(7-3-1)8-9-14-10-11-4-5-12-10;;/h1-9H2,(H,11,12);2*1H
InChIKeyVNSUJGRYIFYZNH-UHFFFAOYSA-N
XLogP2.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine dihydrochloride
CID 54595408
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
CID 13018882
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride
CID 13018885
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-4-methylpiperazine;dihydrochloride
CID 20213257
2-(Piperazino)-2-thiazoline dihydrochloride
CID 68680838
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine
CID 84660245
2-(4-Piperidin-1-ylbutylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 169004886
2-(3-piperidin-1-ylpropylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169004908
1-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl]piperidine
CID 169004921
1-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]piperidine
CID 169004930
2-(2-Piperidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 169004943
2-(2-piperidin-1-ylethylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169005148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride?
The IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride (CID 13018883) is 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride.
What is the SMILES notation for 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride?
The canonical SMILES for 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride is C1CCN(CCSC2=NCCN2)CC1.Cl.Cl.
What is the InChIKey of 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride?
The InChIKey is VNSUJGRYIFYZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S.2ClH/c1-2-6-13(7-3-1)8-9-14-10-11-4-5-12-10;;/h1-9H2,(H,11,12);2*1H.
What are the key properties of 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride?
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride has a molecular weight of 286.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride is sourced from PubChem (CID 13018883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).