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4-[(2-ethylpiperidin-1-yl)methyl]aniline

4-[(2-ethylpiperidin-1-yl)methyl]aniline

CAS: 842970-08-5

Formula: C14H22N2

SMILES: CCC1CCCCN1CC1=CC=C(N)C=C1

IUPAC: 4-[(2-ethylpiperidin-1-yl)methyl]aniline

InChI: InChI=1/C14H22N2/c1-2-14-5-3-4-10-16(14)11-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11,15H2,1H3

Composition: C (77.01%), H (10.16%), N (12.83%)

Molar Mass: 218.344

Atom Count: 38

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 218.178298716
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MVPDGGMRKWOGHJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.39
Topological Polar Surface Area 29.26
Polarizability 27.04
Ring Count 2
Rotatable Bond Count 3

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