3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine

C24H32FN3 — CID 56880067

IUPAC3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(CCC2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1
InChIInChI=1S/C24H32FN3/c25-23-9-7-20(8-10-23)5-6-21-4-2-14-28(19-21)24-11-15-27(16-12-24)18-22-3-1-13-26-17-22/h1,3,7-10,13,17,21,24H,2,4-6,11-12,14-16,18-19H2
InChIKeyYHJFCXOGDKRERO-UHFFFAOYSA-N
MW381.54 g/mol
LogP4.53
Rot. Bonds6

About 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine

3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 56880067) has the molecular formula C24H32FN3 and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine
PubChem CID56880067
Molecular FormulaC24H32FN3
Molecular Weight381.54 g/mol
Exact Mass381.26
IUPAC Name3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(CCC2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1
InChIInChI=1S/C24H32FN3/c25-23-9-7-20(8-10-23)5-6-21-4-2-14-28(19-21)24-11-15-27(16-12-24)18-22-3-1-13-26-17-22/h1,3,7-10,13,17,21,24H,2,4-6,11-12,14-16,18-19H2
InChIKeyYHJFCXOGDKRERO-UHFFFAOYSA-N
XLogP4.53
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine with MolForge

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Related Compounds

cyclopropyl-[4-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543541
cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543540
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
(4-fluoropiperidin-1-yl)-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95563925
1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95553032
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56874648
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96572438
(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573997
[4-(aminomethyl)piperidin-1-yl]-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95455721

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine (CID 56880067) is 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine is Fc1ccc(CCC2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1.
What is the InChIKey of 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is YHJFCXOGDKRERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3/c25-23-9-7-20(8-10-23)5-6-21-4-2-14-28(19-21)24-11-15-27(16-12-24)18-22-3-1-13-26-17-22/h1,3,7-10,13,17,21,24H,2,4-6,11-12,14-16,18-19H2.
What are the key properties of 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine?
3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 381.54 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 56880067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).