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

C15H29FN2O — CID 176615956

IUPACN-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(F)CCN(C2CCOCC2)CC1
InChIInChI=1S/C15H29FN2O/c1-14(2,3)17-12-15(16)6-8-18(9-7-15)13-4-10-19-11-5-13/h13,17H,4-12H2,1-3H3
InChIKeyBCAHHCIGKCHFDB-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.36
Rot. Bonds3

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

N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 176615956) has the molecular formula C15H29FN2O and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID176615956
Molecular FormulaC15H29FN2O
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC NameN-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(F)CCN(C2CCOCC2)CC1
InChIInChI=1S/C15H29FN2O/c1-14(2,3)17-12-15(16)6-8-18(9-7-15)13-4-10-19-11-5-13/h13,17H,4-12H2,1-3H3
InChIKeyBCAHHCIGKCHFDB-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (CID 176615956) is N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(F)CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BCAHHCIGKCHFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O/c1-14(2,3)17-12-15(16)6-8-18(9-7-15)13-4-10-19-11-5-13/h13,17H,4-12H2,1-3H3.
What are the key properties of N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 272.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(oxan-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 176615956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).