[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

C18H25FN2O3 — CID 120928895

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESNCC1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCOCC1
InChIInChI=1S/C18H25FN2O3/c19-14-1-3-15(4-2-14)24-16-5-9-21(10-6-16)17(22)18(13-20)7-11-23-12-8-18/h1-4,16H,5-13,20H2
InChIKeyVWOXCZKISYBWNL-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.95
Rot. Bonds4

About [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 120928895) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID120928895
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESNCC1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCOCC1
InChIInChI=1S/C18H25FN2O3/c19-14-1-3-15(4-2-14)24-16-5-9-21(10-6-16)17(22)18(13-20)7-11-23-12-8-18/h1-4,16H,5-13,20H2
InChIKeyVWOXCZKISYBWNL-UHFFFAOYSA-N
XLogP1.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (CID 120928895) is [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is NCC1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is VWOXCZKISYBWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-14-1-3-15(4-2-14)24-16-5-9-21(10-6-16)17(22)18(13-20)7-11-23-12-8-18/h1-4,16H,5-13,20H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 336.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 120928895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).