2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol

C18H27FN2O — CID 70154819

IUPAC2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CNCC1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c19-18-3-1-14(2-4-18)15-5-8-21(9-6-15)13-17-12-20-11-16(17)7-10-22/h1-4,15-17,20,22H,5-13H2
InChIKeyODKMLWSJDREVEF-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol

2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 70154819) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID70154819
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CNCC1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c19-18-3-1-14(2-4-18)15-5-8-21(9-6-15)13-17-12-20-11-16(17)7-10-22/h1-4,15-17,20,22H,5-13H2
InChIKeyODKMLWSJDREVEF-UHFFFAOYSA-N
XLogP2.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine
CID 18335090
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine
CID 42863556
3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol
CID 139779953
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
3-(4-fluorophenyl)azetidine
CID 55250938
3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 18326605
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
[(3S,4R)-3-cyclobutyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 18713522
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride
CID 45261258

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol (CID 70154819) is 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol is OCCC1CNCC1CN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ODKMLWSJDREVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c19-18-3-1-14(2-4-18)15-5-8-21(9-6-15)13-17-12-20-11-16(17)7-10-22/h1-4,15-17,20,22H,5-13H2.
What are the key properties of 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol?
2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 306.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 70154819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).