1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine

C9H17F3N2 — CID 60696502

IUPAC1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
SMILESCN1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-14-6-2-8(3-7-14)13-5-4-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyJHKZEGHAEHVKFC-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine

1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine (PubChem CID 60696502) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
PubChem CID60696502
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
SMILESCN1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-14-6-2-8(3-7-14)13-5-4-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyJHKZEGHAEHVKFC-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961713
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 103529557
2-[2-[(1-methylpiperidin-4-yl)amino]ethylamino]ethanol
CID 167265274
4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 65091618
N-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115512946
1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
CID 115230482

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine (CID 60696502) is 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine is CN1CCC(NCCC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine?
The InChIKey is JHKZEGHAEHVKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-14-6-2-8(3-7-14)13-5-4-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine?
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine is sourced from PubChem (CID 60696502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).