4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine

C28H47N3O — CID 23141587

IUPAC4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine
SMILESCCCCN1CCN(c2ccc(N3CCOCC3)cc2C2CCC(CC)(CC)CC2)CC1
InChIInChI=1S/C28H47N3O/c1-4-7-14-29-15-17-31(18-16-29)27-9-8-25(30-19-21-32-22-20-30)23-26(27)24-10-12-28(5-2,6-3)13-11-24/h8-9,23-24H,4-7,10-22H2,1-3H3
InChIKeyWEUPNXNFKPRPCT-UHFFFAOYSA-N
MW441.70 g/mol
LogP5.91
Rot. Bonds8

About 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine

4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine (PubChem CID 23141587) has the molecular formula C28H47N3O and a molecular weight of 441.70 g/mol. Its IUPAC name is 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine
PubChem CID23141587
Molecular FormulaC28H47N3O
Molecular Weight441.70 g/mol
Exact Mass441.37
IUPAC Name4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine
SMILESCCCCN1CCN(c2ccc(N3CCOCC3)cc2C2CCC(CC)(CC)CC2)CC1
InChIInChI=1S/C28H47N3O/c1-4-7-14-29-15-17-31(18-16-29)27-9-8-25(30-19-21-32-22-20-30)23-26(27)24-10-12-28(5-2,6-3)13-11-24/h8-9,23-24H,4-7,10-22H2,1-3H3
InChIKeyWEUPNXNFKPRPCT-UHFFFAOYSA-N
XLogP5.91
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.70
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]-2,6-dimethylmorpholine
CID 69220121
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine
CID 23142252
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23142251
4-[4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]morpholine;hydrochloride
CID 23142311
1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane
CID 143370096
8-[4-(4-butylpiperazin-1-yl)-3-(4-ethylcyclohexyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370163
1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]piperazine;hydrochloride
CID 68975190
1-butyl-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]octan-6-ylphenyl]piperazine
CID 23142123
4-[4-(4-butylpiperazin-1-yl)-3-spiro[2.5]octan-6-ylphenyl]-2,6-dimethylmorpholine
CID 69220213
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-(4-methoxypiperidin-1-yl)phenyl]piperazine;hydrochloride
CID 23141550
4-[4-(4-propylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]morpholine;hydrochloride
CID 23141652
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-(4-propan-2-yloxypiperidin-1-yl)phenyl]piperazine;hydrochloride
CID 23141710

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine?
The IUPAC name of 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine (CID 23141587) is 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine?
The canonical SMILES for 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine is CCCCN1CCN(c2ccc(N3CCOCC3)cc2C2CCC(CC)(CC)CC2)CC1.
What is the InChIKey of 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine?
The InChIKey is WEUPNXNFKPRPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47N3O/c1-4-7-14-29-15-17-31(18-16-29)27-9-8-25(30-19-21-32-22-20-30)23-26(27)24-10-12-28(5-2,6-3)13-11-24/h8-9,23-24H,4-7,10-22H2,1-3H3.
What are the key properties of 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine?
4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine has a molecular weight of 441.70 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine is sourced from PubChem (CID 23141587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).