N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride

C10H20ClF3N2 — CID 119922398

IUPACN-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(CCC(F)(F)F)CC1.Cl
InChIInChI=1S/C10H19F3N2.ClH/c1-14-8-9-2-5-15(6-3-9)7-4-10(11,12)13;/h9,14H,2-8H2,1H3;1H
InChIKeyWCSFNPHIUWLCTB-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride

N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119922398) has the molecular formula C10H20ClF3N2 and a molecular weight of 260.73 g/mol. Its IUPAC name is N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID119922398
Molecular FormulaC10H20ClF3N2
Molecular Weight260.73 g/mol
Exact Mass260.13
IUPAC NameN-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(CCC(F)(F)F)CC1.Cl
InChIInChI=1S/C10H19F3N2.ClH/c1-14-8-9-2-5-15(6-3-9)7-4-10(11,12)13;/h9,14H,2-8H2,1H3;1H
InChIKeyWCSFNPHIUWLCTB-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119922597
4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119546844
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966176
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
CID 115514231
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
CID 79605681

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride (CID 119922398) is N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(CCC(F)(F)F)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is WCSFNPHIUWLCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2.ClH/c1-14-8-9-2-5-15(6-3-9)7-4-10(11,12)13;/h9,14H,2-8H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 260.73 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119922398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).