7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine

C14H20N2S — CID 116998930

IUPAC7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1cc2c(cc1CC1CCCCN1)SCCN2
InChIInChI=1S/C14H20N2S/c1-2-6-15-12(3-1)9-11-4-5-13-14(10-11)17-8-7-16-13/h4-5,10,12,15-16H,1-3,6-9H2
InChIKeyDOVXOLDTHYUAFN-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.89
Rot. Bonds2

About 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine

7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 116998930) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID116998930
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1cc2c(cc1CC1CCCCN1)SCCN2
InChIInChI=1S/C14H20N2S/c1-2-6-15-12(3-1)9-11-4-5-13-14(10-11)17-8-7-16-13/h4-5,10,12,15-16H,1-3,6-9H2
InChIKeyDOVXOLDTHYUAFN-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117360963
2-(1,3-benzoxathiol-6-ylmethyl)pyrrolidine
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(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine
CID 116999100
3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
CID 117363131
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
2-(1H-pyrazol-5-ylmethyl)piperidine
CID 83845818
2-[(3-chlorophenyl)methyl]azepane
CID 5094056

Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 116998930) is 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine is c1cc2c(cc1CC1CCCCN1)SCCN2.
What is the InChIKey of 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is DOVXOLDTHYUAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-6-15-12(3-1)9-11-4-5-13-14(10-11)17-8-7-16-13/h4-5,10,12,15-16H,1-3,6-9H2.
What are the key properties of 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine?
7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 248.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 116998930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).