1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene

C25H32FN — CID 142939164

IUPAC1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene
SMILESCCc1ccccc1.Fc1ccc(C2CCN(CC3=CCCC3)CC2)cc1
InChIInChI=1S/C17H22FN.C8H10/c18-17-7-5-15(6-8-17)16-9-11-19(12-10-16)13-14-3-1-2-4-14;1-2-8-6-4-3-5-7-8/h3,5-8,16H,1-2,4,9-13H2;3-7H,2H2,1H3
InChIKeyIZDFQRMLHHEQAA-UHFFFAOYSA-N
MW365.54 g/mol
LogP6.36
Rot. Bonds4

About 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene

1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene (PubChem CID 142939164) has the molecular formula C25H32FN and a molecular weight of 365.54 g/mol. Its IUPAC name is 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene.

Molecular Properties

Compound Name1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene
PubChem CID142939164
Molecular FormulaC25H32FN
Molecular Weight365.54 g/mol
Exact Mass365.25
IUPAC Name1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene
SMILESCCc1ccccc1.Fc1ccc(C2CCN(CC3=CCCC3)CC2)cc1
InChIInChI=1S/C17H22FN.C8H10/c18-17-7-5-15(6-8-17)16-9-11-19(12-10-16)13-14-3-1-2-4-14;1-2-8-6-4-3-5-7-8/h3,5-8,16H,1-2,4,9-13H2;3-7H,2H2,1H3
InChIKeyIZDFQRMLHHEQAA-UHFFFAOYSA-N
XLogP6.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.54
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine
CID 142015008
3-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032608
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
1-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperidine;ethyl formate
CID 142014928
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene?
The IUPAC name of 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene (CID 142939164) is 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene.
What is the SMILES notation for 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene?
The canonical SMILES for 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene is CCc1ccccc1.Fc1ccc(C2CCN(CC3=CCCC3)CC2)cc1.
What is the InChIKey of 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene?
The InChIKey is IZDFQRMLHHEQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN.C8H10/c18-17-7-5-15(6-8-17)16-9-11-19(12-10-16)13-14-3-1-2-4-14;1-2-8-6-4-3-5-7-8/h3,5-8,16H,1-2,4,9-13H2;3-7H,2H2,1H3.
What are the key properties of 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene?
1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene has a molecular weight of 365.54 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-ylmethyl)-4-(4-fluorophenyl)piperidine;ethylbenzene is sourced from PubChem (CID 142939164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).