1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride

C15H23Cl2N3S — CID 119914687

IUPAC1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCC1CCCN(Cc2nc3ccccc3s2)C1.Cl.Cl
InChIInChI=1S/C15H21N3S.2ClH/c1-16-9-12-5-4-8-18(10-12)11-15-17-13-6-2-3-7-14(13)19-15;;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;2*1H
InChIKeyHJVRHEURJBLIQI-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.57
Rot. Bonds4

About 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride

1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride (PubChem CID 119914687) has the molecular formula C15H23Cl2N3S and a molecular weight of 348.34 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride
PubChem CID119914687
Molecular FormulaC15H23Cl2N3S
Molecular Weight348.34 g/mol
Exact Mass347.10
IUPAC Name1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCC1CCCN(Cc2nc3ccccc3s2)C1.Cl.Cl
InChIInChI=1S/C15H21N3S.2ClH/c1-16-9-12-5-4-8-18(10-12)11-15-17-13-6-2-3-7-14(13)19-15;;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;2*1H
InChIKeyHJVRHEURJBLIQI-UHFFFAOYSA-N
XLogP3.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]propan-1-amine
CID 104631235
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
2-[[3-(bromomethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104632056
methyl (3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxylate
CID 79047230
1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carbaldehyde
CID 55100069
1-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61205338
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
3-(1,3-benzothiazol-2-yl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]propanamide
CID 94810927
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 114682379
3-(1,3-benzothiazol-2-yl)-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 119540157
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
1-[2-(1,3-benzothiazol-2-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 81025561

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride (CID 119914687) is 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride is CNCC1CCCN(Cc2nc3ccccc3s2)C1.Cl.Cl.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride?
The InChIKey is HJVRHEURJBLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S.2ClH/c1-16-9-12-5-4-8-18(10-12)11-15-17-13-6-2-3-7-14(13)19-15;;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;2*1H.
What are the key properties of 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride?
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride has a molecular weight of 348.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 119914687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).