1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine

C23H36FNO2 — CID 142475273

IUPAC1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine
SMILESCCC/C(C)=C/C(COc1ccc(F)cc1)N1CCC(CCCOC)CC1
InChIInChI=1S/C23H36FNO2/c1-4-6-19(2)17-22(18-27-23-10-8-21(24)9-11-23)25-14-12-20(13-15-25)7-5-16-26-3/h8-11,17,20,22H,4-7,12-16,18H2,1-3H3/b19-17+
InChIKeyXDUZIXQXYYQWRB-HTXNQAPBSA-N
MW377.54 g/mol
LogP5.46
Rot. Bonds11

About 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine

1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine (PubChem CID 142475273) has the molecular formula C23H36FNO2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine
PubChem CID142475273
Molecular FormulaC23H36FNO2
Molecular Weight377.54 g/mol
Exact Mass377.27
IUPAC Name1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine
SMILESCCC/C(C)=C/C(COc1ccc(F)cc1)N1CCC(CCCOC)CC1
InChIInChI=1S/C23H36FNO2/c1-4-6-19(2)17-22(18-27-23-10-8-21(24)9-11-23)25-14-12-20(13-15-25)7-5-16-26-3/h8-11,17,20,22H,4-7,12-16,18H2,1-3H3/b19-17+
InChIKeyXDUZIXQXYYQWRB-HTXNQAPBSA-N
XLogP5.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.54
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E)-1-(4-fluorophenoxy)-4-methylhexa-3,5-dien-2-yl]-4-(3-methoxypropyl)piperidine
CID 167106710
4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine
CID 158682800
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]-4-methylpiperidine;2-[1-[1-(4-chlorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-yl]ethanol;bis(2,5-dimethyl-2-(4-methylphenoxy)-N-(2-methylpropyl)hex-4-en-3-amine);4-(3-methoxypropyl)-1-[4-methyl-1-(4-methylphenoxy)pent-3-en-2-yl]piperidine;4-methyl-1-(4-methyl-1-phenoxypent-3-en-2-yl)piperidine
CID 167684186
1-[2,6-dimethyl-6-(4-piperidin-1-ylphenyl)hept-2-en-4-yl]-4-(3-methoxypropyl)piperidine
CID 158385109
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine
CID 23381404
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
4-[2-(4-fluorophenoxy)ethyl]-1-(1-piperidin-3-ylpentyl)piperidine;dihydrochloride
CID 70097667
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine?
The IUPAC name of 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine (CID 142475273) is 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine.
What is the SMILES notation for 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine?
The canonical SMILES for 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine is CCC/C(C)=C/C(COc1ccc(F)cc1)N1CCC(CCCOC)CC1.
What is the InChIKey of 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine?
The InChIKey is XDUZIXQXYYQWRB-HTXNQAPBSA-N. The full InChI is InChI=1S/C23H36FNO2/c1-4-6-19(2)17-22(18-27-23-10-8-21(24)9-11-23)25-14-12-20(13-15-25)7-5-16-26-3/h8-11,17,20,22H,4-7,12-16,18H2,1-3H3/b19-17+.
What are the key properties of 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine?
1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine has a molecular weight of 377.54 g/mol, XLogP of 5.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-fluorophenoxy)-4-methylhept-3-en-2-yl]-4-(3-methoxypropyl)piperidine is sourced from PubChem (CID 142475273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).