4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine

C25H33FN2O — CID 122459114

IUPAC4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine
SMILESCN1CCC(Cc2cccc(CNC3(c4ccccc4F)CCOCC3)c2)CC1
InChIInChI=1S/C25H33FN2O/c1-28-13-9-20(10-14-28)17-21-5-4-6-22(18-21)19-27-25(11-15-29-16-12-25)23-7-2-3-8-24(23)26/h2-8,18,20,27H,9-17,19H2,1H3
InChIKeyNKQBXDNFENRYAR-UHFFFAOYSA-N
MW396.55 g/mol
LogP4.51
Rot. Bonds6

About 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine

4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine (PubChem CID 122459114) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine
PubChem CID122459114
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC Name4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine
SMILESCN1CCC(Cc2cccc(CNC3(c4ccccc4F)CCOCC3)c2)CC1
InChIInChI=1S/C25H33FN2O/c1-28-13-9-20(10-14-28)17-21-5-4-6-22(18-21)19-27-25(11-15-29-16-12-25)23-7-2-3-8-24(23)26/h2-8,18,20,27H,9-17,19H2,1H3
InChIKeyNKQBXDNFENRYAR-UHFFFAOYSA-N
XLogP4.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine with MolForge

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Related Compounds

1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride
CID 122459134
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride
CID 140734434
1-(2,6-difluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;dihydrochloride
CID 158177001
1-(2,4-difluorophenyl)-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine
CID 129133411
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-(2-fluorophenyl)-4-[[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]cyclohexan-1-one
CID 118009312
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655067
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
CID 58138677
4-benzyl-1-methylazepane
CID 123177845
1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride
CID 160688271

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine?
The IUPAC name of 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine (CID 122459114) is 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine?
The canonical SMILES for 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine is CN1CCC(Cc2cccc(CNC3(c4ccccc4F)CCOCC3)c2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine?
The InChIKey is NKQBXDNFENRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O/c1-28-13-9-20(10-14-28)17-21-5-4-6-22(18-21)19-27-25(11-15-29-16-12-25)23-7-2-3-8-24(23)26/h2-8,18,20,27H,9-17,19H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine?
4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine has a molecular weight of 396.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 122459114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).