N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

C12H25FN2 — CID 80695059

IUPACN-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(CCF)CC1
InChIInChI=1S/C12H25FN2/c1-12(2,3)14-10-11-4-7-15(8-5-11)9-6-13/h11,14H,4-10H2,1-3H3
InChIKeyJEANUYMOJNBUNV-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.06
Rot. Bonds4

About N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 80695059) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID80695059
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC NameN-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(CCF)CC1
InChIInChI=1S/C12H25FN2/c1-12(2,3)14-10-11-4-7-15(8-5-11)9-6-13/h11,14H,4-10H2,1-3H3
InChIKeyJEANUYMOJNBUNV-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (CID 80695059) is N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(CCF)CC1.
What is the InChIKey of N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JEANUYMOJNBUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-12(2,3)14-10-11-4-7-15(8-5-11)9-6-13/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 216.34 g/mol, XLogP of 2.06, 4 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-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80695059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).