1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol

C18H20F2N2O — CID 110018792

IUPAC1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccccc2NCc2c(F)cccc2F)CC1
InChIInChI=1S/C18H20F2N2O/c19-15-4-3-5-16(20)14(15)12-21-17-6-1-2-7-18(17)22-10-8-13(23)9-11-22/h1-7,13,21,23H,8-12H2
InChIKeyBEWSGDQIZSJWQN-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol

1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol (PubChem CID 110018792) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol
PubChem CID110018792
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccccc2NCc2c(F)cccc2F)CC1
InChIInChI=1S/C18H20F2N2O/c19-15-4-3-5-16(20)14(15)12-21-17-6-1-2-7-18(17)22-10-8-13(23)9-11-22/h1-7,13,21,23H,8-12H2
InChIKeyBEWSGDQIZSJWQN-UHFFFAOYSA-N
XLogP3.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol (CID 110018792) is 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol is OC1CCN(c2ccccc2NCc2c(F)cccc2F)CC1.
What is the InChIKey of 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol?
The InChIKey is BEWSGDQIZSJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-15-4-3-5-16(20)14(15)12-21-17-6-1-2-7-18(17)22-10-8-13(23)9-11-22/h1-7,13,21,23H,8-12H2.
What are the key properties of 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol?
1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol has a molecular weight of 318.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol is sourced from PubChem (CID 110018792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).