(3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone

C18H17BrFNO — CID 44765439

IUPAC(3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17BrFNO/c19-16-3-1-2-15(12-16)18(22)21-10-8-14(9-11-21)13-4-6-17(20)7-5-13/h1-7,12,14H,8-11H2
InChIKeyKPZWOPZREYACLM-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.61
Rot. Bonds2

About (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone

(3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 44765439) has the molecular formula C18H17BrFNO and a molecular weight of 362.24 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID44765439
Molecular FormulaC18H17BrFNO
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name(3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17BrFNO/c19-16-3-1-2-15(12-16)18(22)21-10-8-14(9-11-21)13-4-6-17(20)7-5-13/h1-7,12,14H,8-11H2
InChIKeyKPZWOPZREYACLM-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone (CID 44765439) is (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is KPZWOPZREYACLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO/c19-16-3-1-2-15(12-16)18(22)21-10-8-14(9-11-21)13-4-6-17(20)7-5-13/h1-7,12,14H,8-11H2.
What are the key properties of (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
(3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 362.24 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 44765439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).