1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine

C24H41N3O — CID 167386772

IUPAC1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)CN1CC(OCCCN2CCN(Cc3ccc(C(C)C)cc3)CC2)C1
InChIInChI=1S/C24H41N3O/c1-20(2)16-27-18-24(19-27)28-15-5-10-25-11-13-26(14-12-25)17-22-6-8-23(9-7-22)21(3)4/h6-9,20-21,24H,5,10-19H2,1-4H3
InChIKeyGLNPEDPVVZRXTK-UHFFFAOYSA-N
MW387.61 g/mol
LogP3.67
Rot. Bonds10

About 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine

1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 167386772) has the molecular formula C24H41N3O and a molecular weight of 387.61 g/mol. Its IUPAC name is 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID167386772
Molecular FormulaC24H41N3O
Molecular Weight387.61 g/mol
Exact Mass387.32
IUPAC Name1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)CN1CC(OCCCN2CCN(Cc3ccc(C(C)C)cc3)CC2)C1
InChIInChI=1S/C24H41N3O/c1-20(2)16-27-18-24(19-27)28-15-5-10-25-11-13-26(14-12-25)17-22-6-8-23(9-7-22)21(3)4/h6-9,20-21,24H,5,10-19H2,1-4H3
InChIKeyGLNPEDPVVZRXTK-UHFFFAOYSA-N
XLogP3.67
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 167386719
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
4-[[4-(10-methylundecyl)piperazin-1-yl]methyl]aniline
CID 155411570
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]methanesulfonamide
CID 86825544
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140
N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
CID 155200662
2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43252940
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238796
ethane;1-[(4-ethylphenyl)methyl]-4-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 155740003
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine (CID 167386772) is 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine is CC(C)CN1CC(OCCCN2CCN(Cc3ccc(C(C)C)cc3)CC2)C1.
What is the InChIKey of 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is GLNPEDPVVZRXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O/c1-20(2)16-27-18-24(19-27)28-15-5-10-25-11-13-26(14-12-25)17-22-6-8-23(9-7-22)21(3)4/h6-9,20-21,24H,5,10-19H2,1-4H3.
What are the key properties of 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine?
1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 387.61 g/mol, XLogP of 3.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methylpropyl)azetidin-3-yl]oxypropyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 167386772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).