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4-[(3S)-3-methylpiperidine-1-carbonyl]aniline

4-[(3S)-3-methylpiperidine-1-carbonyl]aniline

CAS: 79868-21-6

Formula: C13H18N2O

SMILES: C[C@H]1CCCN(C1)C(=O)C1=CC=C(N)C=C1

IUPAC: 4-[(3S)-3-methylpiperidine-1-carbonyl]aniline

InChI: InChI=1S/C13H18N2O/c1-10-3-2-8-15(9-10)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9,14H2,1H3/t10-/m0/s1

Composition: C (71.53%), H (8.31%), N (12.83%), O (7.33%)

Molar Mass: 218.3

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 218.141913208
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PNJJYGKJDHDGOM-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.24
Topological Polar Surface Area 46.33
Polarizability 24.62
Ring Count 2
Rotatable Bond Count 1

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