1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine

C24H29FN2 — CID 142015008

IUPAC1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCN(CC=C3CCN(Cc4ccccc4)C3)CC2)cc1
InChIInChI=1S/C24H29FN2/c25-24-8-6-22(7-9-24)23-12-16-26(17-13-23)14-10-21-11-15-27(19-21)18-20-4-2-1-3-5-20/h1-10,23H,11-19H2
InChIKeyFBOMMLLSTLBSKZ-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.84
Rot. Bonds5

About 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine

1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine (PubChem CID 142015008) has the molecular formula C24H29FN2 and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine
PubChem CID142015008
Molecular FormulaC24H29FN2
Molecular Weight364.51 g/mol
Exact Mass364.23
IUPAC Name1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCN(CC=C3CCN(Cc4ccccc4)C3)CC2)cc1
InChIInChI=1S/C24H29FN2/c25-24-8-6-22(7-9-24)23-12-16-26(17-13-23)14-10-21-11-15-27(19-21)18-20-4-2-1-3-5-20/h1-10,23H,11-19H2
InChIKeyFBOMMLLSTLBSKZ-UHFFFAOYSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride
CID 45261258
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine
CID 54010458
4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine
CID 18794493
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
1-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperidine;ethyl formate
CID 142014928
1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene
CID 142939164
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902
1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine
CID 4677213
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine?
The IUPAC name of 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine (CID 142015008) is 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine?
The canonical SMILES for 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine is Fc1ccc(C2CCN(CC=C3CCN(Cc4ccccc4)C3)CC2)cc1.
What is the InChIKey of 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine?
The InChIKey is FBOMMLLSTLBSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2/c25-24-8-6-22(7-9-24)23-12-16-26(17-13-23)14-10-21-11-15-27(19-21)18-20-4-2-1-3-5-20/h1-10,23H,11-19H2.
What are the key properties of 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine?
1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine has a molecular weight of 364.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 142015008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).