(1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone

C14H23F3IN3O — CID 155472459

IUPAC(1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
SMILESCN(CC(F)(F)F)C1CCN(C(=O)C2CCN(I)CC2)CC1
InChIInChI=1S/C14H23F3IN3O/c1-19(10-14(15,16)17)12-4-6-20(7-5-12)13(22)11-2-8-21(18)9-3-11/h11-12H,2-10H2,1H3
InChIKeyBVYRZWZDSWRDLN-UHFFFAOYSA-N
MW433.26 g/mol
LogP2.53
Rot. Bonds3

About (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone

(1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone (PubChem CID 155472459) has the molecular formula C14H23F3IN3O and a molecular weight of 433.26 g/mol. Its IUPAC name is (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
PubChem CID155472459
Molecular FormulaC14H23F3IN3O
Molecular Weight433.26 g/mol
Exact Mass433.08
IUPAC Name(1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
SMILESCN(CC(F)(F)F)C1CCN(C(=O)C2CCN(I)CC2)CC1
InChIInChI=1S/C14H23F3IN3O/c1-19(10-14(15,16)17)12-4-6-20(7-5-12)13(22)11-2-8-21(18)9-3-11/h11-12H,2-10H2,1H3
InChIKeyBVYRZWZDSWRDLN-UHFFFAOYSA-N
XLogP2.53
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone (CID 155472459) is (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone is CN(CC(F)(F)F)C1CCN(C(=O)C2CCN(I)CC2)CC1.
What is the InChIKey of (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone?
The InChIKey is BVYRZWZDSWRDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3IN3O/c1-19(10-14(15,16)17)12-4-6-20(7-5-12)13(22)11-2-8-21(18)9-3-11/h11-12H,2-10H2,1H3.
What are the key properties of (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone?
(1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone has a molecular weight of 433.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodopiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 155472459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).