1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol

C16H25FN2O — CID 71683459

IUPAC1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CN(C)Cc2ccccc2F)C1
InChIInChI=1S/C16H25FN2O/c1-3-19-10-6-9-16(20,13-19)12-18(2)11-14-7-4-5-8-15(14)17/h4-5,7-8,20H,3,6,9-13H2,1-2H3
InChIKeyMMXSUKSMKNUJAL-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.10
Rot. Bonds5

About 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol

1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol (PubChem CID 71683459) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol
PubChem CID71683459
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CN(C)Cc2ccccc2F)C1
InChIInChI=1S/C16H25FN2O/c1-3-19-10-6-9-16(20,13-19)12-18(2)11-14-7-4-5-8-15(14)17/h4-5,7-8,20H,3,6,9-13H2,1-2H3
InChIKeyMMXSUKSMKNUJAL-UHFFFAOYSA-N
XLogP2.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol?
The IUPAC name of 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol (CID 71683459) is 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol.
What is the SMILES notation for 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol?
The canonical SMILES for 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol is CCN1CCCC(O)(CN(C)Cc2ccccc2F)C1.
What is the InChIKey of 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol?
The InChIKey is MMXSUKSMKNUJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-19-10-6-9-16(20,13-19)12-18(2)11-14-7-4-5-8-15(14)17/h4-5,7-8,20H,3,6,9-13H2,1-2H3.
What are the key properties of 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol?
1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol has a molecular weight of 280.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(2-fluorophenyl)methyl-methylamino]methyl]piperidin-3-ol is sourced from PubChem (CID 71683459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).