N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine

C24H33FN2 — CID 90463347

IUPACN-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine
SMILESCC(C)(C)N1CCC(F)(CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C24H33FN2/c1-23(2,3)27-16-14-24(25,15-17-27)20-26(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-13H,14-20H2,1-3H3
InChIKeyNJFMZUMWOVXLCK-UHFFFAOYSA-N
MW368.54 g/mol
LogP5.29
Rot. Bonds6

About N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine

N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine (PubChem CID 90463347) has the molecular formula C24H33FN2 and a molecular weight of 368.54 g/mol. Its IUPAC name is N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine
PubChem CID90463347
Molecular FormulaC24H33FN2
Molecular Weight368.54 g/mol
Exact Mass368.26
IUPAC NameN-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine
SMILESCC(C)(C)N1CCC(F)(CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C24H33FN2/c1-23(2,3)27-16-14-24(25,15-17-27)20-26(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-13H,14-20H2,1-3H3
InChIKeyNJFMZUMWOVXLCK-UHFFFAOYSA-N
XLogP5.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-tert-butyl-4-ethoxypiperidine
CID 174056579
1-benzyl-4-tert-butylpiperazine
CID 3591937
1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine
CID 118531544
(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
CID 90155876
3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
CID 59367733
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
CID 115022739
(3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine
CID 171771140
1-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-(4-methylphenyl)piperazine
CID 171429553
N-benzyl-1-phenyl-N-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methyl]methanamine
CID 11180693
2-[(dibenzylamino)methyl]-2-methylpiperazine-1,4-dicarboxylic acid
CID 174953209

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine (CID 90463347) is N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine is CC(C)(C)N1CCC(F)(CN(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is NJFMZUMWOVXLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2/c1-23(2,3)27-16-14-24(25,15-17-27)20-26(18-21-10-6-4-7-11-21)19-22-12-8-5-9-13-22/h4-13H,14-20H2,1-3H3.
What are the key properties of N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine?
N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 368.54 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 90463347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).