1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride

C17H25ClFNO2 — CID 24761380

IUPAC1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride
SMILESCC(CN1C(C)CCCC1C)OC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H24FNO2.ClH/c1-12-5-4-6-13(2)19(12)11-14(3)21-17(20)15-7-9-16(18)10-8-15;/h7-10,12-14H,4-6,11H2,1-3H3;1H
InChIKeyDDLAIVIEKOTWSA-UHFFFAOYSA-N
MW329.84 g/mol
LogP4.06
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride

1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride (PubChem CID 24761380) has the molecular formula C17H25ClFNO2 and a molecular weight of 329.84 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride
PubChem CID24761380
Molecular FormulaC17H25ClFNO2
Molecular Weight329.84 g/mol
Exact Mass329.16
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride
SMILESCC(CN1C(C)CCCC1C)OC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H24FNO2.ClH/c1-12-5-4-6-13(2)19(12)11-14(3)21-17(20)15-7-9-16(18)10-8-15;/h7-10,12-14H,4-6,11H2,1-3H3;1H
InChIKeyDDLAIVIEKOTWSA-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride (CID 24761380) is 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride is CC(CN1C(C)CCCC1C)OC(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride?
The InChIKey is DDLAIVIEKOTWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2.ClH/c1-12-5-4-6-13(2)19(12)11-14(3)21-17(20)15-7-9-16(18)10-8-15;/h7-10,12-14H,4-6,11H2,1-3H3;1H.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride?
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride has a molecular weight of 329.84 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 4-fluorobenzoate;hydrochloride is sourced from PubChem (CID 24761380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).