N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C20H32FN3O — CID 131906020

IUPACN'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CC1CCCO1)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H32FN3O/c1-22(2)13-14-24(16-18-6-5-15-25-18)17-9-11-23(12-10-17)20-8-4-3-7-19(20)21/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
InChIKeyYQNFZOJOVVXCFE-UHFFFAOYSA-N
MW349.49 g/mol
LogP2.84
Rot. Bonds7

About N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 131906020) has the molecular formula C20H32FN3O and a molecular weight of 349.49 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID131906020
Molecular FormulaC20H32FN3O
Molecular Weight349.49 g/mol
Exact Mass349.25
IUPAC NameN'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CC1CCCO1)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H32FN3O/c1-22(2)13-14-24(16-18-6-5-15-25-18)17-9-11-23(12-10-17)20-8-4-3-7-19(20)21/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
InChIKeyYQNFZOJOVVXCFE-UHFFFAOYSA-N
XLogP2.84
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 45234316
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
2-[[1-(2-fluorophenyl)pyrrolidin-3-yl]-methylamino]ethanol
CID 117004505
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
CID 45218421
(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 96569478
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 126783794
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 131920000
1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 1445928
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine
CID 25284076
1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 77084296
N'-[benzyl(methyl)sulfamoyl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 131935981
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 131906020) is N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is CN(C)CCN(CC1CCCO1)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is YQNFZOJOVVXCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O/c1-22(2)13-14-24(16-18-6-5-15-25-18)17-9-11-23(12-10-17)20-8-4-3-7-19(20)21/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3.
What are the key properties of N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 349.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)piperidin-4-yl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 131906020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).