1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine

C28H32N2O — CID 139945708

IUPAC1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(CCCCC3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C28H32N2O/c1-31-23-15-13-22(14-16-23)30-20-18-29(19-21-30)17-7-6-12-28-26-10-4-2-8-24(26)25-9-3-5-11-27(25)28/h2-5,8-11,13-16,28H,6-7,12,17-21H2,1H3
InChIKeyVODOYLOFPNHYHJ-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.80
Rot. Bonds7

About 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine

1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 139945708) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
PubChem CID139945708
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(CCCCC3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C28H32N2O/c1-31-23-15-13-22(14-16-23)30-20-18-29(19-21-30)17-7-6-12-28-26-10-4-2-8-24(26)25-9-3-5-11-27(25)28/h2-5,8-11,13-16,28H,6-7,12,17-21H2,1H3
InChIKeyVODOYLOFPNHYHJ-UHFFFAOYSA-N
XLogP5.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
CID 141019584
1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride
CID 70078757
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one;oxalic acid
CID 67041259
1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]hexyl]benzo[cd]indol-2-one
CID 155516282
2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
CID 78832067
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine (CID 139945708) is 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(CCCCC3c4ccccc4-c4ccccc43)CC2)cc1.
What is the InChIKey of 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is VODOYLOFPNHYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-31-23-15-13-22(14-16-23)30-20-18-29(19-21-30)17-7-6-12-28-26-10-4-2-8-24(26)25-9-3-5-11-27(25)28/h2-5,8-11,13-16,28H,6-7,12,17-21H2,1H3.
What are the key properties of 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine?
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 412.58 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 139945708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).