[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

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

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120930210
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
1-[4-(aminomethyl)oxane-4-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120924366
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 120934454
[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 120920469
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72939906
4-(aminomethyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120923003
[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 120931313
3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 120924733
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347

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).