[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol

C24H31FN2O — CID 18723469

IUPAC[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CC1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN2O/c25-24-8-6-20(7-9-24)21-10-12-26(13-11-21)15-22-16-27(17-23(22)18-28)14-19-4-2-1-3-5-19/h1-9,21-23,28H,10-18H2
InChIKeyWMWLBGPZXFWAGQ-UHFFFAOYSA-N
MW382.52 g/mol
LogP3.75
Rot. Bonds6

About [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol

[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 18723469) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID18723469
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CC1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN2O/c25-24-8-6-20(7-9-24)21-10-12-26(13-11-21)15-22-16-27(17-23(22)18-28)14-19-4-2-1-3-5-19/h1-9,21-23,28H,10-18H2
InChIKeyWMWLBGPZXFWAGQ-UHFFFAOYSA-N
XLogP3.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperidine
CID 142015423
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
CID 22116082
1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 42863539
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1-benzyl-N-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-3-amine
CID 11661832
[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70708947
1-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperidine;ethyl formate
CID 142014928
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
2-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]ethanol
CID 70154819
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
[1-[[(3R,4R)-1-[(3-fluoro-5-methylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 72878019
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol (CID 18723469) is [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol is OCC1CN(Cc2ccccc2)CC1CN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is WMWLBGPZXFWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c25-24-8-6-20(7-9-24)21-10-12-26(13-11-21)15-22-16-27(17-23(22)18-28)14-19-4-2-1-3-5-19/h1-9,21-23,28H,10-18H2.
What are the key properties of [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol?
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 382.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 18723469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).