1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine

C20H32N2 — CID 178164584

IUPAC1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccc(N2CCN(C3CC(C(C)C)C3)CC2)cc1
InChIInChI=1S/C20H32N2/c1-15(2)17-5-7-19(8-6-17)21-9-11-22(12-10-21)20-13-18(14-20)16(3)4/h5-8,15-16,18,20H,9-14H2,1-4H3
InChIKeyYVRMYOOZPSPCQF-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.37
Rot. Bonds4

About 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine

1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine (PubChem CID 178164584) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine
PubChem CID178164584
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccc(N2CCN(C3CC(C(C)C)C3)CC2)cc1
InChIInChI=1S/C20H32N2/c1-15(2)17-5-7-19(8-6-17)21-9-11-22(12-10-21)20-13-18(14-20)16(3)4/h5-8,15-16,18,20H,9-14H2,1-4H3
InChIKeyYVRMYOOZPSPCQF-UHFFFAOYSA-N
XLogP4.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-propan-2-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929962
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
CID 165092457
methyl-methylidene-oxo-[4-(4-propan-2-ylphenyl)piperazin-1-yl]-λ6-sulfane
CID 157423140
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
CID 164952945
(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine
CID 121262106
(1R)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79934675
(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 177267388
1-(4-bromophenyl)-4-(4-propan-2-ylphenyl)piperazine;buta-1,3-diene
CID 142044878
1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine
CID 177267335
4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
CID 176934369
3-fluoro-1-(4-propan-2-ylphenyl)azetidine
CID 155453609
1-(4-propan-2-ylphenyl)azetidin-3-amine
CID 117002806

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine (CID 178164584) is 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine is CC(C)c1ccc(N2CCN(C3CC(C(C)C)C3)CC2)cc1.
What is the InChIKey of 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine?
The InChIKey is YVRMYOOZPSPCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-15(2)17-5-7-19(8-6-17)21-9-11-22(12-10-21)20-13-18(14-20)16(3)4/h5-8,15-16,18,20H,9-14H2,1-4H3.
What are the key properties of 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine?
1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine has a molecular weight of 300.49 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 178164584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).