4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol

C18H21FN2O — CID 18005300

IUPAC4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol
SMILESNc1ccc(C2(O)CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C18H21FN2O/c19-17-12-15(20)6-7-16(17)18(22)8-10-21(11-9-18)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13,20H2
InChIKeyAJHSIGCBBSBQSC-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.89
Rot. Bonds3

About 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol

4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol (PubChem CID 18005300) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol
PubChem CID18005300
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol
SMILESNc1ccc(C2(O)CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C18H21FN2O/c19-17-12-15(20)6-7-16(17)18(22)8-10-21(11-9-18)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13,20H2
InChIKeyAJHSIGCBBSBQSC-UHFFFAOYSA-N
XLogP2.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol?
The IUPAC name of 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol (CID 18005300) is 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol.
What is the SMILES notation for 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol?
The canonical SMILES for 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol is Nc1ccc(C2(O)CCN(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol?
The InChIKey is AJHSIGCBBSBQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-17-12-15(20)6-7-16(17)18(22)8-10-21(11-9-18)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13,20H2.
What are the key properties of 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol?
4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol has a molecular weight of 300.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenyl)-1-benzylpiperidin-4-ol is sourced from PubChem (CID 18005300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).