N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine

C13H24F3N3 — CID 62975551

IUPACN'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine
SMILESCN(CCNC1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C13H24F3N3/c1-18(12-2-3-12)9-6-17-11-4-7-19(8-5-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyNLZXRALKWFJTAV-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.70
Rot. Bonds6

About N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine (PubChem CID 62975551) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine
PubChem CID62975551
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC NameN'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine
SMILESCN(CCNC1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C13H24F3N3/c1-18(12-2-3-12)9-6-17-11-4-7-19(8-5-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyNLZXRALKWFJTAV-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine (CID 62975551) is N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine is CN(CCNC1CCN(CC(F)(F)F)CC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is NLZXRALKWFJTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-18(12-2-3-12)9-6-17-11-4-7-19(8-5-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 279.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 62975551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).