piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone

C24H28F3N3O — CID 10717561

IUPACpiperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone
SMILESO=C(c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1)N1CCCCC1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)21-8-5-9-22(17-21)29-14-12-28(13-15-29)18-19-6-4-7-20(16-19)23(31)30-10-2-1-3-11-30/h4-9,16-17H,1-3,10-15,18H2
InChIKeyDHBAVPRIEVIAEK-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.65
Rot. Bonds4

About piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone

piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone (PubChem CID 10717561) has the molecular formula C24H28F3N3O and a molecular weight of 431.50 g/mol. Its IUPAC name is piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone
PubChem CID10717561
Molecular FormulaC24H28F3N3O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Namepiperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone
SMILESO=C(c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1)N1CCCCC1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)21-8-5-9-22(17-21)29-14-12-28(13-15-29)18-19-6-4-7-20(16-19)23(31)30-10-2-1-3-11-30/h4-9,16-17H,1-3,10-15,18H2
InChIKeyDHBAVPRIEVIAEK-UHFFFAOYSA-N
XLogP4.65
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone?
The IUPAC name of piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone (CID 10717561) is piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone is O=C(c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone?
The InChIKey is DHBAVPRIEVIAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O/c25-24(26,27)21-8-5-9-22(17-21)29-14-12-28(13-15-29)18-19-6-4-7-20(16-19)23(31)30-10-2-1-3-11-30/h4-9,16-17H,1-3,10-15,18H2.
What are the key properties of piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone?
piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone has a molecular weight of 431.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 10717561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).