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

C15H23FN2O — CID 56730047

IUPAC1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CNCc2ccccc2F)C1
InChIInChI=1S/C15H23FN2O/c1-2-18-9-5-8-15(19,12-18)11-17-10-13-6-3-4-7-14(13)16/h3-4,6-7,17,19H,2,5,8-12H2,1H3
InChIKeyRPSNYSMNORUSSR-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.76
Rot. Bonds5

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

1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol (PubChem CID 56730047) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol
PubChem CID56730047
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CNCc2ccccc2F)C1
InChIInChI=1S/C15H23FN2O/c1-2-18-9-5-8-15(19,12-18)11-17-10-13-6-3-4-7-14(13)16/h3-4,6-7,17,19H,2,5,8-12H2,1H3
InChIKeyRPSNYSMNORUSSR-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol?
The IUPAC name of 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol (CID 56730047) is 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol.
What is the SMILES notation for 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol?
The canonical SMILES for 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol is CCN1CCCC(O)(CNCc2ccccc2F)C1.
What is the InChIKey of 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol?
The InChIKey is RPSNYSMNORUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-18-9-5-8-15(19,12-18)11-17-10-13-6-3-4-7-14(13)16/h3-4,6-7,17,19H,2,5,8-12H2,1H3.
What are the key properties of 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol?
1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol has a molecular weight of 266.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]piperidin-3-ol is sourced from PubChem (CID 56730047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).