2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride

C17H26ClFN2 — CID 120899076

IUPAC2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
SMILESCC1(CN2CCCC2Cc2ccc(F)cc2)CCNC1.Cl
InChIInChI=1S/C17H25FN2.ClH/c1-17(8-9-19-12-17)13-20-10-2-3-16(20)11-14-4-6-15(18)7-5-14;/h4-7,16,19H,2-3,8-13H2,1H3;1H
InChIKeyVMBNJVMXXBZXSD-UHFFFAOYSA-N
MW312.86 g/mol
LogP3.25
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride

2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride (PubChem CID 120899076) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
PubChem CID120899076
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC Name2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
SMILESCC1(CN2CCCC2Cc2ccc(F)cc2)CCNC1.Cl
InChIInChI=1S/C17H25FN2.ClH/c1-17(8-9-19-12-17)13-20-10-2-3-16(20)11-14-4-6-15(18)7-5-14;/h4-7,16,19H,2-3,8-13H2,1H3;1H
InChIKeyVMBNJVMXXBZXSD-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride (CID 120899076) is 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride is CC1(CN2CCCC2Cc2ccc(F)cc2)CCNC1.Cl.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The InChIKey is VMBNJVMXXBZXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2.ClH/c1-17(8-9-19-12-17)13-20-10-2-3-16(20)11-14-4-6-15(18)7-5-14;/h4-7,16,19H,2-3,8-13H2,1H3;1H.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 120899076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).