N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide

C15H22F3N3O2S — CID 18614323

IUPACN-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)(F)F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22F3N3O2S/c16-15(17,18)24(22,23)20-12-14(11-19)6-8-21(9-7-14)10-13-4-2-1-3-5-13/h1-5,20H,6-12,19H2
InChIKeyQWWKHFJDJATLLG-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.67
Rot. Bonds6

About N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide

N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 18614323) has the molecular formula C15H22F3N3O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID18614323
Molecular FormulaC15H22F3N3O2S
Molecular Weight365.42 g/mol
Exact Mass365.14
IUPAC NameN-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)(F)F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22F3N3O2S/c16-15(17,18)24(22,23)20-12-14(11-19)6-8-21(9-7-14)10-13-4-2-1-3-5-13/h1-5,20H,6-12,19H2
InChIKeyQWWKHFJDJATLLG-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide (CID 18614323) is N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide is NCC1(CNS(=O)(=O)C(F)(F)F)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is QWWKHFJDJATLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2S/c16-15(17,18)24(22,23)20-12-14(11-19)6-8-21(9-7-14)10-13-4-2-1-3-5-13/h1-5,20H,6-12,19H2.
What are the key properties of N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide?
N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 365.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-1-benzylpiperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 18614323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).