1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride

C8H17Cl2F3N2 — CID 90482882

IUPAC1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2.2ClH/c9-8(10,11)3-6-13-4-1-7(12)2-5-13;;/h7H,1-6,12H2;2*1H
InChIKeyRUVSZPUKYDLIFS-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.21
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride

1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride (PubChem CID 90482882) has the molecular formula C8H17Cl2F3N2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
PubChem CID90482882
Molecular FormulaC8H17Cl2F3N2
Molecular Weight269.14 g/mol
Exact Mass268.07
IUPAC Name1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2.2ClH/c9-8(10,11)3-6-13-4-1-7(12)2-5-13;;/h7H,1-6,12H2;2*1H
InChIKeyRUVSZPUKYDLIFS-UHFFFAOYSA-N
XLogP2.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
CID 79605681
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739
4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 110021852
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride
CID 67523899
1-(3,3,3-trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]piperidin-4-amine
CID 79328291
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
2-(4-aminopiperidin-1-yl)ethanol
CID 15733445

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride (CID 90482882) is 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride?
The InChIKey is RUVSZPUKYDLIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.2ClH/c9-8(10,11)3-6-13-4-1-7(12)2-5-13;;/h7H,1-6,12H2;2*1H.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride?
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride has a molecular weight of 269.14 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 90482882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).