5-piperidin-1-yl-3H-azepine

C11H16N2 — CID 143115626

IUPAC5-piperidin-1-yl-3H-azepine
SMILESC1=CC(N2CCCCC2)=CCC=N1
InChIInChI=1S/C11H16N2/c1-2-9-13(10-3-1)11-5-4-7-12-8-6-11/h5-8H,1-4,9-10H2
InChIKeyZUZCQUJCVQVVGA-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.34
Rot. Bonds1

About 5-piperidin-1-yl-3H-azepine

5-piperidin-1-yl-3H-azepine (PubChem CID 143115626) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-piperidin-1-yl-3H-azepine.

Molecular Properties

Compound Name5-piperidin-1-yl-3H-azepine
PubChem CID143115626
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-piperidin-1-yl-3H-azepine
SMILESC1=CC(N2CCCCC2)=CCC=N1
InChIInChI=1S/C11H16N2/c1-2-9-13(10-3-1)11-5-4-7-12-8-6-11/h5-8H,1-4,9-10H2
InChIKeyZUZCQUJCVQVVGA-UHFFFAOYSA-N
XLogP2.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
4-Piperidin-1-yl-2,5-dihydropyridine
CID 129208888
(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
CID 139420142
ethane;methane;5-piperidin-1-yl-3H-azepine
CID 143115625
N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine
CID 143115633

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-3H-azepine?
The IUPAC name of 5-piperidin-1-yl-3H-azepine (CID 143115626) is 5-piperidin-1-yl-3H-azepine.
What is the SMILES notation for 5-piperidin-1-yl-3H-azepine?
The canonical SMILES for 5-piperidin-1-yl-3H-azepine is C1=CC(N2CCCCC2)=CCC=N1.
What is the InChIKey of 5-piperidin-1-yl-3H-azepine?
The InChIKey is ZUZCQUJCVQVVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-9-13(10-3-1)11-5-4-7-12-8-6-11/h5-8H,1-4,9-10H2.
What are the key properties of 5-piperidin-1-yl-3H-azepine?
5-piperidin-1-yl-3H-azepine has a molecular weight of 176.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-3H-azepine is sourced from PubChem (CID 143115626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).