N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

C14H26F3N3O — CID 62557143

IUPACN-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O/c1-12(9-18-10-13-3-2-8-21-13)20-6-4-19(5-7-20)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyTVOUOFQMNMWWMC-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.32
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 62557143) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID62557143
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNCC1CCCO1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O/c1-12(9-18-10-13-3-2-8-21-13)20-6-4-19(5-7-20)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyTVOUOFQMNMWWMC-UHFFFAOYSA-N
XLogP1.32
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Tetrahydro-2-furylmethyl)piperazine
CID 2737265
1-[(Oxolan-2-yl)methyl]piperidin-4-amine
CID 16774673
N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
CID 2846723
4-{[(2S)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}morpholine
CID 124052744
N-methyl-N-(tetrahydrofuran-2-ylmethyl)piperidin-4-amine
CID 25219599
4-(4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-yl)piperidine
CID 121204116
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
CID 122669558
4-[2-(Dimethylamino)ethoxy]-6-(trifluoromethyl)piperidin-3-amine
CID 123775383
4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine
CID 124192518
(2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine
CID 141468071
(3S,4R)-4-(2,2-difluoroethoxy)-1-ethylpiperidin-3-amine
CID 163609642
(3S,4R)-4-(2,2-difluoroethoxy)-1-propan-2-ylpiperidin-3-amine
CID 166561191

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 62557143) is N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is CC(CNCC1CCCO1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is TVOUOFQMNMWWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-12(9-18-10-13-3-2-8-21-13)20-6-4-19(5-7-20)11-14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 309.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62557143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).