4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol

C18H21FN2O2 — CID 118958410

IUPAC4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol
SMILESNCC1(O)CCN(c2cccc(Oc3ccccc3)c2F)CC1
InChIInChI=1S/C18H21FN2O2/c19-17-15(21-11-9-18(22,13-20)10-12-21)7-4-8-16(17)23-14-5-2-1-3-6-14/h1-8,22H,9-13,20H2
InChIKeyVRCIMOVZBDBKFI-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.91
Rot. Bonds4

About 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol

4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol (PubChem CID 118958410) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol
PubChem CID118958410
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol
SMILESNCC1(O)CCN(c2cccc(Oc3ccccc3)c2F)CC1
InChIInChI=1S/C18H21FN2O2/c19-17-15(21-11-9-18(22,13-20)10-12-21)7-4-8-16(17)23-14-5-2-1-3-6-14/h1-8,22H,9-13,20H2
InChIKeyVRCIMOVZBDBKFI-UHFFFAOYSA-N
XLogP2.91
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol (CID 118958410) is 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol is NCC1(O)CCN(c2cccc(Oc3ccccc3)c2F)CC1.
What is the InChIKey of 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol?
The InChIKey is VRCIMOVZBDBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-17-15(21-11-9-18(22,13-20)10-12-21)7-4-8-16(17)23-14-5-2-1-3-6-14/h1-8,22H,9-13,20H2.
What are the key properties of 4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol?
4-(aminomethyl)-1-(2-fluoro-3-phenoxyphenyl)piperidin-4-ol has a molecular weight of 316.38 g/mol, XLogP of 2.91, 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-fluoro-3-phenoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 118958410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).