N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C10H15F3N2 — CID 43755345

IUPACN-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC#CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c1-2-5-14-9-3-6-15(7-4-9)8-10(11,12)13/h1,9,14H,3-8H2
InChIKeyNPHQGSWXCWMVAU-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.24
Rot. Bonds3

About N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43755345) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43755345
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC NameN-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC#CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c1-2-5-14-9-3-6-15(7-4-9)8-10(11,12)13/h1,9,14H,3-8H2
InChIKeyNPHQGSWXCWMVAU-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
4-methyl-1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 65117458
N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine
CID 43758940
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
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
2,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidin-1-amine
CID 83009533
N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine
CID 60894007
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone
CID 115709475

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43755345) is N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C#CCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is NPHQGSWXCWMVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-2-5-14-9-3-6-15(7-4-9)8-10(11,12)13/h1,9,14H,3-8H2.
What are the key properties of N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 220.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43755345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).