2-(pyridin-4-yl)azepane

2-(pyridin-4-yl)azepane

CAS: 383129-02-0

Formula: C11H16N2

SMILES: C1CCNC(CC1)C1=CC=NC=C1

IUPAC: 2-(pyridin-4-yl)azepane

InChI: InChI=1/C11H16N2/c1-2-4-11(13-7-3-1)10-5-8-12-9-6-10/h5-6,8-9,11,13H,1-4,7H2

Composition: C (74.96%), H (9.15%), N (15.89%)

Molar Mass: 176.263

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	176.131348523
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NBCTZCUNZUISCL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.56
Topological Polar Surface Area	24.92
Polarizability	21.3
Ring Count	2
Rotatable Bond Count	1

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