N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine

C17H25FN2O — CID 56720670

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine
SMILESFc1cccc(C2(CNC3CCCNC3)CCOCC2)c1
InChIInChI=1S/C17H25FN2O/c18-15-4-1-3-14(11-15)17(6-9-21-10-7-17)13-20-16-5-2-8-19-12-16/h1,3-4,11,16,19-20H,2,5-10,12-13H2
InChIKeySQNHFJNGAPPPJJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.22
Rot. Bonds4

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine (PubChem CID 56720670) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine
PubChem CID56720670
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine
SMILESFc1cccc(C2(CNC3CCCNC3)CCOCC2)c1
InChIInChI=1S/C17H25FN2O/c18-15-4-1-3-14(11-15)17(6-9-21-10-7-17)13-20-16-5-2-8-19-12-16/h1,3-4,11,16,19-20H,2,5-10,12-13H2
InChIKeySQNHFJNGAPPPJJ-UHFFFAOYSA-N
XLogP2.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-(4-Fluorophenyl)oxan-4-yl)methanamine
CID 6484227
(4-(3-Fluorophenyl)oxan-4-yl)methanamine
CID 17609124
1,9-Dioxaspiro[5.5]undec-4-yl{[1-(2-fluorophenyl)cyclopentyl]methyl}amine
CID 70751586
US11214540, Example 66
CID 155139308
1-(2-fluorobenzyl)-N-(tetrahydro-2H-pyran-4-yl)-3-piperidinamine
CID 45240052
1,9-dioxaspiro[5.5]undec-4-yl{[4-(3-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}amine
CID 70708595
4-(4-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane
CID 86820598
4-(3-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane
CID 86820599
3-[(4-Fluorophenyl)methyl]morpholine
CID 82281886
(R)-3-(4-fluorobenzyl)morpholine
CID 95437547
N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 3138595
N-cyclopentyl-2-({[4-(3-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}amino)propanamide
CID 50959923

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine (CID 56720670) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine is Fc1cccc(C2(CNC3CCCNC3)CCOCC2)c1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine?
The InChIKey is SQNHFJNGAPPPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-15-4-1-3-14(11-15)17(6-9-21-10-7-17)13-20-16-5-2-8-19-12-16/h1,3-4,11,16,19-20H,2,5-10,12-13H2.
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine has a molecular weight of 292.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 56720670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).