4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine

C26H41N3O — CID 11304464

IUPAC4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine
SMILESCC(C)CN1CCN(c2ccc(N3CCOCC3)cc2C2=CCC(C)(C)CC2)CC1
InChIInChI=1S/C26H41N3O/c1-21(2)20-27-11-13-29(14-12-27)25-6-5-23(28-15-17-30-18-16-28)19-24(25)22-7-9-26(3,4)10-8-22/h5-7,19,21H,8-18,20H2,1-4H3
InChIKeyRFLMYCYZHTZYRV-UHFFFAOYSA-N
MW411.63 g/mol
LogP4.89
Rot. Bonds5

About 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine

4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine (PubChem CID 11304464) has the molecular formula C26H41N3O and a molecular weight of 411.63 g/mol. Its IUPAC name is 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine
PubChem CID11304464
Molecular FormulaC26H41N3O
Molecular Weight411.63 g/mol
Exact Mass411.32
IUPAC Name4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine
SMILESCC(C)CN1CCN(c2ccc(N3CCOCC3)cc2C2=CCC(C)(C)CC2)CC1
InChIInChI=1S/C26H41N3O/c1-21(2)20-27-11-13-29(14-12-27)25-6-5-23(28-15-17-30-18-16-28)19-24(25)22-7-9-26(3,4)10-8-22/h5-7,19,21H,8-18,20H2,1-4H3
InChIKeyRFLMYCYZHTZYRV-UHFFFAOYSA-N
XLogP4.89
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.63
LogP ≤ 54.89
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

4-[4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-3-spiro[4.5]dec-8-en-8-ylphenyl]morpholine;hydrochloride
CID 23141772
1-[2-(4,4-diethylcyclohexen-1-yl)-4-(4-methoxypiperidin-1-yl)phenyl]-4-(2-methylpropyl)piperazine
CID 23141593
tert-butyl 4-(4-morpholin-4-yl-2-spiro[2.5]oct-6-en-6-ylphenyl)piperazine-1-carboxylate
CID 59769440
1-[2-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine;hydrochloride
CID 23142553
4-[4-[4-(2-methylpropyl)piperazin-1-yl]-3-spiro[5.5]undecan-3-ylphenyl]morpholine
CID 23141975
1-(cyclopropylmethyl)-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]oct-6-en-6-ylphenyl]piperazine;hydrochloride
CID 23142641
4-[4-(4-propylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]morpholine;hydrochloride
CID 23141652
1-[4-(4-methoxypiperidin-1-yl)-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-(2-methylpropyl)piperazine;hydrochloride
CID 23142367
4-[4-(2-methylpropyl)piperazin-1-yl]-2-propan-2-yloxyaniline
CID 83005099
4-[4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]morpholine;hydrochloride
CID 23142311
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 62777793
1-[4-(bromomethyl)phenyl]-4-(2-methylpropyl)piperazine
CID 107082857

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine?
The IUPAC name of 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine (CID 11304464) is 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine is CC(C)CN1CCN(c2ccc(N3CCOCC3)cc2C2=CCC(C)(C)CC2)CC1.
What is the InChIKey of 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine?
The InChIKey is RFLMYCYZHTZYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O/c1-21(2)20-27-11-13-29(14-12-27)25-6-5-23(28-15-17-30-18-16-28)19-24(25)22-7-9-26(3,4)10-8-22/h5-7,19,21H,8-18,20H2,1-4H3.
What are the key properties of 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine?
4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine has a molecular weight of 411.63 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]morpholine is sourced from PubChem (CID 11304464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).