1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride

C26H37Cl2FN2 — CID 122459134

IUPAC1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride
SMILESCN1CCC(Cc2cccc(CN(C)C3(c4ccccc4F)CCCC3)c2)CC1.Cl.Cl
InChIInChI=1S/C26H35FN2.2ClH/c1-28-16-12-21(13-17-28)18-22-8-7-9-23(19-22)20-29(2)26(14-5-6-15-26)24-10-3-4-11-25(24)27;;/h3-4,7-11,19,21H,5-6,12-18,20H2,1-2H3;2*1H
InChIKeyURRIDPDBEXTQIV-UHFFFAOYSA-N
MW467.50 g/mol
LogP6.45
Rot. Bonds6

About 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride

1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride (PubChem CID 122459134) has the molecular formula C26H37Cl2FN2 and a molecular weight of 467.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride
PubChem CID122459134
Molecular FormulaC26H37Cl2FN2
Molecular Weight467.50 g/mol
Exact Mass466.23
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride
SMILESCN1CCC(Cc2cccc(CN(C)C3(c4ccccc4F)CCCC3)c2)CC1.Cl.Cl
InChIInChI=1S/C26H35FN2.2ClH/c1-28-16-12-21(13-17-28)18-22-8-7-9-23(19-22)20-29(2)26(14-5-6-15-26)24-10-3-4-11-25(24)27;;/h3-4,7-11,19,21H,5-6,12-18,20H2,1-2H3;2*1H
InChIKeyURRIDPDBEXTQIV-UHFFFAOYSA-N
XLogP6.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride with MolForge

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Related Compounds

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CID 6468
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4-Benzyl-1-[(3-fluorophenyl)methyl]piperidine
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CID 9881970

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride (CID 122459134) is 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride is CN1CCC(Cc2cccc(CN(C)C3(c4ccccc4F)CCCC3)c2)CC1.Cl.Cl.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride?
The InChIKey is URRIDPDBEXTQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2.2ClH/c1-28-16-12-21(13-17-28)18-22-8-7-9-23(19-22)20-29(2)26(14-5-6-15-26)24-10-3-4-11-25(24)27;;/h3-4,7-11,19,21H,5-6,12-18,20H2,1-2H3;2*1H.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride?
1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride has a molecular weight of 467.50 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]cyclopentan-1-amine;dihydrochloride is sourced from PubChem (CID 122459134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).