1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride

C18H26ClFN2O — CID 119793828

IUPAC1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
SMILESCC1CC(c2ccccc2F)N(C(=O)CC2CCNCC2)C1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-13-10-17(15-4-2-3-5-16(15)19)21(12-13)18(22)11-14-6-8-20-9-7-14;/h2-5,13-14,17,20H,6-12H2,1H3;1H
InChIKeyIMHKHNPQTFJVHY-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.55
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride

1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride (PubChem CID 119793828) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
PubChem CID119793828
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
SMILESCC1CC(c2ccccc2F)N(C(=O)CC2CCNCC2)C1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-13-10-17(15-4-2-3-5-16(15)19)21(12-13)18(22)11-14-6-8-20-9-7-14;/h2-5,13-14,17,20H,6-12H2,1H3;1H
InChIKeyIMHKHNPQTFJVHY-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride?
The IUPAC name of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride (CID 119793828) is 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride is CC1CC(c2ccccc2F)N(C(=O)CC2CCNCC2)C1.Cl.
What is the InChIKey of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride?
The InChIKey is IMHKHNPQTFJVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c1-13-10-17(15-4-2-3-5-16(15)19)21(12-13)18(22)11-14-6-8-20-9-7-14;/h2-5,13-14,17,20H,6-12H2,1H3;1H.
What are the key properties of 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride?
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride is sourced from PubChem (CID 119793828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).