4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol

C18H19F3N2O2 — CID 118958158

IUPAC4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol
SMILESNCC1(O)CCN(c2cc(Oc3cccc(F)c3)cc(F)c2F)CC1
InChIInChI=1S/C18H19F3N2O2/c19-12-2-1-3-13(8-12)25-14-9-15(20)17(21)16(10-14)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
InChIKeyXFWSYJVLQVKQDN-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.19
Rot. Bonds4

About 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol

4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol (PubChem CID 118958158) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol
PubChem CID118958158
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol
SMILESNCC1(O)CCN(c2cc(Oc3cccc(F)c3)cc(F)c2F)CC1
InChIInChI=1S/C18H19F3N2O2/c19-12-2-1-3-13(8-12)25-14-9-15(20)17(21)16(10-14)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2
InChIKeyXFWSYJVLQVKQDN-UHFFFAOYSA-N
XLogP3.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol (CID 118958158) is 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol is NCC1(O)CCN(c2cc(Oc3cccc(F)c3)cc(F)c2F)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol?
The InChIKey is XFWSYJVLQVKQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-12-2-1-3-13(8-12)25-14-9-15(20)17(21)16(10-14)23-6-4-18(24,11-22)5-7-23/h1-3,8-10,24H,4-7,11,22H2.
What are the key properties of 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol?
4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol has a molecular weight of 352.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol is sourced from PubChem (CID 118958158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).