[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone

C14H24F3N3O2 — CID 120942772

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
SMILESCC(N1CCN(C(=O)C2(CN)CCOCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2/c1-11(14(15,16)17)19-4-6-20(7-5-19)12(21)13(10-18)2-8-22-9-3-13/h11H,2-10,18H2,1H3
InChIKeySCVCLZMNIZKMJV-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.84
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone (PubChem CID 120942772) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
PubChem CID120942772
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
SMILESCC(N1CCN(C(=O)C2(CN)CCOCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2/c1-11(14(15,16)17)19-4-6-20(7-5-19)12(21)13(10-18)2-8-22-9-3-13/h11H,2-10,18H2,1H3
InChIKeySCVCLZMNIZKMJV-UHFFFAOYSA-N
XLogP0.84
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120920168
[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone
CID 80588050
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120941025
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115452797
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779
[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120937664
[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 120922370
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120930299

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone (CID 120942772) is [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone is CC(N1CCN(C(=O)C2(CN)CCOCC2)CC1)C(F)(F)F.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone?
The InChIKey is SCVCLZMNIZKMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-11(14(15,16)17)19-4-6-20(7-5-19)12(21)13(10-18)2-8-22-9-3-13/h11H,2-10,18H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone has a molecular weight of 323.36 g/mol, XLogP of 0.84, 3 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-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120942772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).