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

C18H28ClFN2O — CID 120901750

IUPAC1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
SMILESCC1(CN2CCCC2CC(O)c2ccc(F)cc2)CCNC1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-18(8-9-20-12-18)13-21-10-2-3-16(21)11-17(22)14-4-6-15(19)7-5-14;/h4-7,16-17,20,22H,2-3,8-13H2,1H3;1H
InChIKeyVTYQAZNWKBPUTB-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.13
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride (PubChem CID 120901750) has the molecular formula C18H28ClFN2O and a molecular weight of 342.89 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
PubChem CID120901750
Molecular FormulaC18H28ClFN2O
Molecular Weight342.89 g/mol
Exact Mass342.19
IUPAC Name1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
SMILESCC1(CN2CCCC2CC(O)c2ccc(F)cc2)CCNC1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-18(8-9-20-12-18)13-21-10-2-3-16(21)11-17(22)14-4-6-15(19)7-5-14;/h4-7,16-17,20,22H,2-3,8-13H2,1H3;1H
InChIKeyVTYQAZNWKBPUTB-UHFFFAOYSA-N
XLogP3.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 120901751
2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899076
1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride
CID 120900705
2-[1-[(3-methylpyrrolidin-3-yl)methyl]azepan-2-yl]-1-thiophen-2-ylethanol;hydrochloride
CID 120901659
1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride
CID 120899306
2-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]azepane;hydrochloride
CID 120900766
(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol
CID 124737079
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
CID 129392359
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
2-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899808
1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120897382
1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
CID 120897555

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride (CID 120901750) is 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride is CC1(CN2CCCC2CC(O)c2ccc(F)cc2)CCNC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride?
The InChIKey is VTYQAZNWKBPUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.ClH/c1-18(8-9-20-12-18)13-21-10-2-3-16(21)11-17(22)14-4-6-15(19)7-5-14;/h4-7,16-17,20,22H,2-3,8-13H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride?
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride is sourced from PubChem (CID 120901750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).