2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine

C16H25N3S — CID 71091129

IUPAC2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine
SMILESCSc1ccc(N2CCC(C3CCNCC3)CC2)cn1
InChIInChI=1S/C16H25N3S/c1-20-16-3-2-15(12-18-16)19-10-6-14(7-11-19)13-4-8-17-9-5-13/h2-3,12-14,17H,4-11H2,1H3
InChIKeyIMVGVPCZMUGPEK-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.02
Rot. Bonds3

About 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine

2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine (PubChem CID 71091129) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine
PubChem CID71091129
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine
SMILESCSc1ccc(N2CCC(C3CCNCC3)CC2)cn1
InChIInChI=1S/C16H25N3S/c1-20-16-3-2-15(12-18-16)19-10-6-14(7-11-19)13-4-8-17-9-5-13/h2-3,12-14,17H,4-11H2,1H3
InChIKeyIMVGVPCZMUGPEK-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine
CID 123718410
N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
CID 71081142
5-(4-cyclohexylpiperidin-1-yl)pyridin-2-amine
CID 165041944
(3aR,7aS)-5-(6-chloro-3-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 87137256
1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine
CID 130955693
(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 66757628
N,N-dimethyl-5-piperazin-1-ylpyridin-2-amine
CID 152925430
(4R)-4-[4-[1-(6-methylsulfanyl-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 161006415
1-(6-fluoro-3-pyridinyl)-1,4-diazepane
CID 45116239
1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
CID 117022829
1-(6-cyclopentyloxy-3-pyridinyl)piperazine
CID 68513271
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine?
The IUPAC name of 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine (CID 71091129) is 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine is CSc1ccc(N2CCC(C3CCNCC3)CC2)cn1.
What is the InChIKey of 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine?
The InChIKey is IMVGVPCZMUGPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-20-16-3-2-15(12-18-16)19-10-6-14(7-11-19)13-4-8-17-9-5-13/h2-3,12-14,17H,4-11H2,1H3.
What are the key properties of 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine?
2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine has a molecular weight of 291.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(4-piperidin-4-ylpiperidin-1-yl)pyridine is sourced from PubChem (CID 71091129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).