N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine

C13H25F3N2 — CID 115514231

IUPACN-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-2-7-17-11-12-4-9-18(10-5-12)8-3-6-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyFKLLIFIQPHAIIC-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds7

About N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine

N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 115514231) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID115514231
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-2-7-17-11-12-4-9-18(10-5-12)8-3-6-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyFKLLIFIQPHAIIC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
CID 63849785
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115512946
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine (CID 115514231) is N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is FKLLIFIQPHAIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-2-7-17-11-12-4-9-18(10-5-12)8-3-6-13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine?
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 115514231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).