(4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

C14H23F3N2O2 — CID 107404726

IUPAC(4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1(O)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C14H23F3N2O2/c1-13(21)5-2-7-19(8-6-13)12(20)11-4-3-10(9-18-11)14(15,16)17/h10-11,18,21H,2-9H2,1H3
InChIKeyRHFAERWDHYQFAY-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.68
Rot. Bonds1

About (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

(4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 107404726) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID107404726
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1(O)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C14H23F3N2O2/c1-13(21)5-2-7-19(8-6-13)12(20)11-4-3-10(9-18-11)14(15,16)17/h10-11,18,21H,2-9H2,1H3
InChIKeyRHFAERWDHYQFAY-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 107404726) is (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is CC1(O)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1.
What is the InChIKey of (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is RHFAERWDHYQFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-13(21)5-2-7-19(8-6-13)12(20)11-4-3-10(9-18-11)14(15,16)17/h10-11,18,21H,2-9H2,1H3.
What are the key properties of (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 107404726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).