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2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]benzaldehyde

2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]benzaldehyde

CAS: 894213-68-4

Formula: C16H23NO

SMILES: CC1CCCCN1CC1=C(C)C(C=O)=CC(C)=C1

IUPAC: 2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]benzaldehyde

InChI: InChI=1/C16H23NO/c1-12-8-15(14(3)16(9-12)11-18)10-17-7-5-4-6-13(17)2/h8-9,11,13H,4-7,10H2,1-3H3

Composition: C (78.32%), H (9.45%), N (5.71%), O (6.52%)

Molar Mass: 245.366

Atom Count: 41

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 245.177964365
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GIJVMIAPQDLJQR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.83
Topological Polar Surface Area 20.31
Polarizability 29.46
Ring Count 2
Rotatable Bond Count 3

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