[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride

C13H18ClN3S — CID 71644476

IUPAC[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1c1nsc2ccccc12
InChIInChI=1S/C13H17N3S.ClH/c14-9-10-5-3-4-8-16(10)13-11-6-1-2-7-12(11)17-15-13;/h1-2,6-7,10H,3-5,8-9,14H2;1H
InChIKeyVHUFWLPHGPBCPS-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.04
Rot. Bonds2

About [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride

[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride (PubChem CID 71644476) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride
PubChem CID71644476
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1c1nsc2ccccc12
InChIInChI=1S/C13H17N3S.ClH/c14-9-10-5-3-4-8-16(10)13-11-6-1-2-7-12(11)17-15-13;/h1-2,6-7,10H,3-5,8-9,14H2;1H
InChIKeyVHUFWLPHGPBCPS-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid
CID 97169146
[1-(1,2-benzothiazol-3-yl)piperidin-4-yl]methanamine
CID 71644884
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
[1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644812
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
CID 62592284
(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride
CID 71643811
1-(1,2-benzothiazol-3-yl)piperidin-4-ol
CID 66570294
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
CID 116640310

Frequently Asked Questions

What is the IUPAC name of [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride (CID 71644476) is [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1c1nsc2ccccc12.
What is the InChIKey of [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is VHUFWLPHGPBCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S.ClH/c14-9-10-5-3-4-8-16(10)13-11-6-1-2-7-12(11)17-15-13;/h1-2,6-7,10H,3-5,8-9,14H2;1H.
What are the key properties of [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride?
[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 283.83 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 71644476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).