N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine

C12H25FN2 — CID 80693920

IUPACN-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1CCF
InChIInChI=1S/C12H25FN2/c1-11(2)9-14-10-12-5-3-4-7-15(12)8-6-13/h11-12,14H,3-10H2,1-2H3
InChIKeyREOVGWWWNKFOHT-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.06
Rot. Bonds6

About N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 80693920) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID80693920
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC NameN-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1CCF
InChIInChI=1S/C12H25FN2/c1-11(2)9-14-10-12-5-3-4-7-15(12)8-6-13/h11-12,14H,3-10H2,1-2H3
InChIKeyREOVGWWWNKFOHT-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
2-methyl-N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63528021
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 63528195
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 113473678
2-methyl-N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 64567531
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol
CID 82844673
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine (CID 80693920) is N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCN1CCF.
What is the InChIKey of N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is REOVGWWWNKFOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-11(2)9-14-10-12-5-3-4-7-15(12)8-6-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 216.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80693920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).