N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine

C12H23F3N2 — CID 64565266

IUPACN-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-2-6-16-10-11-3-7-17(8-4-11)9-5-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeySFTSCDQXNBKUID-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds6

About N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine

N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 64565266) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID64565266
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-2-6-16-10-11-3-7-17(8-4-11)9-5-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeySFTSCDQXNBKUID-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
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-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
CID 115514231
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216
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
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
CID 63849785
2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
CID 79605681
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine (CID 64565266) is N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is SFTSCDQXNBKUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-2-6-16-10-11-3-7-17(8-4-11)9-5-12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine?
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 64565266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).