4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide

C19H24FN3O2S — CID 67505127

IUPAC4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide
SMILESNCC1(c2ccccc2)CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c20-18-8-6-16(7-9-18)14-22-26(24,25)23-12-10-19(15-21,11-13-23)17-4-2-1-3-5-17/h1-9,22H,10-15,21H2
InChIKeyPRDDSGNKAFFOIX-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.15
Rot. Bonds6

About 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide

4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide (PubChem CID 67505127) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide
PubChem CID67505127
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide
SMILESNCC1(c2ccccc2)CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c20-18-8-6-16(7-9-18)14-22-26(24,25)23-12-10-19(15-21,11-13-23)17-4-2-1-3-5-17/h1-9,22H,10-15,21H2
InChIKeyPRDDSGNKAFFOIX-UHFFFAOYSA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide (CID 67505127) is 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide is NCC1(c2ccccc2)CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide?
The InChIKey is PRDDSGNKAFFOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c20-18-8-6-16(7-9-18)14-22-26(24,25)23-12-10-19(15-21,11-13-23)17-4-2-1-3-5-17/h1-9,22H,10-15,21H2.
What are the key properties of 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide?
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-1-sulfonamide is sourced from PubChem (CID 67505127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).