1-(3-piperidin-2-yl-2-pyridinyl)azepane

C16H25N3 — CID 102541861

IUPAC1-(3-piperidin-2-yl-2-pyridinyl)azepane
SMILESc1cnc(N2CCCCCC2)c(C2CCCCN2)c1
InChIInChI=1S/C16H25N3/c1-2-6-13-19(12-5-1)16-14(8-7-11-18-16)15-9-3-4-10-17-15/h7-8,11,15,17H,1-6,9-10,12-13H2
InChIKeyADUHBQUBSLKFLW-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.28
Rot. Bonds2

About 1-(3-piperidin-2-yl-2-pyridinyl)azepane

1-(3-piperidin-2-yl-2-pyridinyl)azepane (PubChem CID 102541861) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(3-piperidin-2-yl-2-pyridinyl)azepane.

Molecular Properties

Compound Name1-(3-piperidin-2-yl-2-pyridinyl)azepane
PubChem CID102541861
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(3-piperidin-2-yl-2-pyridinyl)azepane
SMILESc1cnc(N2CCCCCC2)c(C2CCCCN2)c1
InChIInChI=1S/C16H25N3/c1-2-6-13-19(12-5-1)16-14(8-7-11-18-16)15-9-3-4-10-17-15/h7-8,11,15,17H,1-6,9-10,12-13H2
InChIKeyADUHBQUBSLKFLW-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride
CID 171195423
3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
CID 102542304
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
1-[(2-piperidin-2-ylphenyl)methyl]piperidine
CID 117400046
2-methyl-6-piperidin-1-yl-3-piperidin-2-ylpyridine
CID 102543209
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
3-piperidin-2-yl-N-propylpyridin-2-amine
CID 102540073
2-phenylmethoxy-3-piperidin-2-ylpyridine
CID 102539518
4-(azepan-2-yl)quinoline
CID 81147055

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-2-yl-2-pyridinyl)azepane?
The IUPAC name of 1-(3-piperidin-2-yl-2-pyridinyl)azepane (CID 102541861) is 1-(3-piperidin-2-yl-2-pyridinyl)azepane.
What is the SMILES notation for 1-(3-piperidin-2-yl-2-pyridinyl)azepane?
The canonical SMILES for 1-(3-piperidin-2-yl-2-pyridinyl)azepane is c1cnc(N2CCCCCC2)c(C2CCCCN2)c1.
What is the InChIKey of 1-(3-piperidin-2-yl-2-pyridinyl)azepane?
The InChIKey is ADUHBQUBSLKFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-6-13-19(12-5-1)16-14(8-7-11-18-16)15-9-3-4-10-17-15/h7-8,11,15,17H,1-6,9-10,12-13H2.
What are the key properties of 1-(3-piperidin-2-yl-2-pyridinyl)azepane?
1-(3-piperidin-2-yl-2-pyridinyl)azepane has a molecular weight of 259.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-2-yl-2-pyridinyl)azepane is sourced from PubChem (CID 102541861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).