ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine

C17H31FN2 — CID 144962776

IUPACethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCC.CF.CN1CCC(NCCc2ccccc2)CC1
InChIInChI=1S/C14H22N2.C2H6.CH3F/c1-16-11-8-14(9-12-16)15-10-7-13-5-3-2-4-6-13;2*1-2/h2-6,14-15H,7-12H2,1H3;1-2H3;1H3
InChIKeyLRVAANLIIRGACC-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.52
Rot. Bonds4

About ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine

ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 144962776) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Nameethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
PubChem CID144962776
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Nameethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCC.CF.CN1CCC(NCCc2ccccc2)CC1
InChIInChI=1S/C14H22N2.C2H6.CH3F/c1-16-11-8-14(9-12-16)15-10-7-13-5-3-2-4-6-13;2*1-2/h2-6,14-15H,7-12H2,1H3;1-2H3;1H3
InChIKeyLRVAANLIIRGACC-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
CID 65070357
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine (CID 144962776) is ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine is CC.CF.CN1CCC(NCCc2ccccc2)CC1.
What is the InChIKey of ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is LRVAANLIIRGACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C2H6.CH3F/c1-16-11-8-14(9-12-16)15-10-7-13-5-3-2-4-6-13;2*1-2/h2-6,14-15H,7-12H2,1H3;1-2H3;1H3.
What are the key properties of ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine?
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 282.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 144962776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).