N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline

C20H25FN2 — CID 83960926

IUPACN-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
SMILESCC1CCN(Cc2ccc(NCc3cccc(F)c3)cc2)CC1
InChIInChI=1S/C20H25FN2/c1-16-9-11-23(12-10-16)15-17-5-7-20(8-6-17)22-14-18-3-2-4-19(21)13-18/h2-8,13,16,22H,9-12,14-15H2,1H3
InChIKeyKGZUXTNPQYETKV-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.67
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline

N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline (PubChem CID 83960926) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
PubChem CID83960926
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC NameN-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
SMILESCC1CCN(Cc2ccc(NCc3cccc(F)c3)cc2)CC1
InChIInChI=1S/C20H25FN2/c1-16-9-11-23(12-10-16)15-17-5-7-20(8-6-17)22-14-18-3-2-4-19(21)13-18/h2-8,13,16,22H,9-12,14-15H2,1H3
InChIKeyKGZUXTNPQYETKV-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
3-[[4-[(3-methylpiperidin-1-yl)methyl]anilino]methyl]aniline
CID 83960991
N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673353
5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol
CID 83960901
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 46951838
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
CID 55249216
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline (CID 83960926) is N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline is CC1CCN(Cc2ccc(NCc3cccc(F)c3)cc2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is KGZUXTNPQYETKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-16-9-11-23(12-10-16)15-17-5-7-20(8-6-17)22-14-18-3-2-4-19(21)13-18/h2-8,13,16,22H,9-12,14-15H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline?
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 312.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 83960926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).