1-{[4-(2-methylpropyl)phenyl]methyl}piperidin-3-amine; sulfuric acid

1-{[4-(2-methylpropyl)phenyl]methyl}piperidin-3-amine; sulfuric acid

CAS: 1019331-38-4

Formula: C16H28N2O4S

SMILES: OS(O)(=O)=O.CC(C)CC1=CC=C(CN2CCCC(N)C2)C=C1

IUPAC: 1-{[4-(2-methylpropyl)phenyl]methyl}piperidin-3-amine; sulfuric acid

InChI: InChI=1/C16H26N2.H2O4S/c1-13(2)10-14-5-7-15(8-6-14)11-18-9-3-4-16(17)12-18;1-5(2,3)4/h5-8,13,16H,3-4,9-12,17H2,1-2H3;(H2,1,2,3,4)

Composition: C (55.79%), H (8.19%), N (8.13%), O (18.58%), S (9.31%)

Molar Mass: 344.47

Atom Count: 51

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	344.176978564
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AKJDQBYCCQXRDL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.55
Topological Polar Surface Area	29.26
Polarizability	31.06
Ring Count	2
Rotatable Bond Count	4

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