N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine

C11H22F3N3 — CID 60894007

IUPACN'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine
SMILESNCCCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3/c12-11(13,14)9-17-7-3-10(4-8-17)16-6-2-1-5-15/h10,16H,1-9,15H2
InChIKeyLFVBTVHAMNSMLG-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.34
Rot. Bonds6

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

N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine (PubChem CID 60894007) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine
PubChem CID60894007
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC NameN'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine
SMILESNCCCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3/c12-11(13,14)9-17-7-3-10(4-8-17)16-6-2-1-5-15/h10,16H,1-9,15H2
InChIKeyLFVBTVHAMNSMLG-UHFFFAOYSA-N
XLogP1.34
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
N-(3-methylsulfinylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901511
N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 102676142
N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine
CID 62975551
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
N'-cycloheptylbutane-1,4-diamine
CID 60894157
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
N,N-dimethyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 106335729
N'-cyclopropylpropane-1,3-diamine
CID 44784906
N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772111

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine?
The IUPAC name of N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine (CID 60894007) is N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine.
What is the SMILES notation for N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine?
The canonical SMILES for N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine is NCCCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine?
The InChIKey is LFVBTVHAMNSMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c12-11(13,14)9-17-7-3-10(4-8-17)16-6-2-1-5-15/h10,16H,1-9,15H2.
What are the key properties of N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine?
N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine is sourced from PubChem (CID 60894007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).