N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine

C13H23F3N2O — CID 103226813

IUPACN-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-19-9-12(7-17-11-4-5-11)18-6-2-3-10(8-18)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyNSNDLPNOZHHLNN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds6

About N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine

N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine (PubChem CID 103226813) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
PubChem CID103226813
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-19-9-12(7-17-11-4-5-11)18-6-2-3-10(8-18)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyNSNDLPNOZHHLNN-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 103226820
N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226570
N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclohexanamine
CID 62556762
N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103225163
N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine
CID 103226330
N-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226957
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methoxypropyl]cyclopropanamine
CID 107456388
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine
CID 103226843
N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589294
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226460

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine (CID 103226813) is N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine is COCC(CNC1CC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine?
The InChIKey is NSNDLPNOZHHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-19-9-12(7-17-11-4-5-11)18-6-2-3-10(8-18)13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine?
N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine is sourced from PubChem (CID 103226813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).