4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane

C148H306FN19 — CID 159551892

IUPAC4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)C1=CCN(C2CCC2)CC1.CC(C)(C)C1CCN(C2CCC2)CC1.CC(C)(C)N1CCC(C2CCC2)CC1.CC(C)(C)N1CCC(N2CCC2)CC1.CC(C)(C)N1CCN(C2(C)CCC2)CC1.CC(C)(C)N1CCN(C2CCC2)CC1.CC(C)(C)N1CCN(C2CCC2)CC1.CC1(F)CC(N2CCN(C(C)(C)C)CC2)C1.CC1CC(N2CCN(C(C)(C)C)CC2)C1.CC1CC(N2CCN(C(C)(C)C)CC2)C1.CC1CN(C(C)(C)C)CCN1C1CCC1
InChIInChI=1S/C13H25FN2.4C13H26N2.C13H25N.C13H23N.C13H25N.3C12H24N2.8CH4/c1-12(2,3)16-7-5-15(6-8-16)11-9-13(4,14)10-11;2*1-11-9-12(10-11)14-5-7-15(8-6-14)13(2,3)4;1-12(2,3)14-8-10-15(11-9-14)13(4)6-5-7-13;1-11-10-14(13(2,3)4)8-9-15(11)12-6-5-7-12;2*1-13(2,3)11-7-9-14(10-8-11)12-5-4-6-12;1-13(2,3)14-9-7-12(8-10-14)11-5-4-6-11;1-12(2,3)14-9-5-11(6-10-14)13-7-4-8-13;2*1-12(2,3)14-9-7-13(8-10-14)11-5-4-6-11;;;;;;;;/h11H,5-10H2,1-4H3;2*11-12H,5-10H2,1-4H3;5-11H2,1-4H3;11-12H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;7,12H,4-6,8-10H2,1-3H3;11-12H,4-10H2,1-3H3;3*11H,4-10H2,1-3H3;8*1H4
InChIKeyMFMOLZUSJSTGGO-UHFFFAOYSA-N
MW2371.21 g/mol
LogP32.15
Rot. Bonds11

About 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane

4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane (PubChem CID 159551892) has the molecular formula C148H306FN19 and a molecular weight of 2371.21 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane
PubChem CID159551892
Molecular FormulaC148H306FN19
Molecular Weight2371.21 g/mol
Exact Mass2369.45
IUPAC Name4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)C1=CCN(C2CCC2)CC1.CC(C)(C)C1CCN(C2CCC2)CC1.CC(C)(C)N1CCC(C2CCC2)CC1.CC(C)(C)N1CCC(N2CCC2)CC1.CC(C)(C)N1CCN(C2(C)CCC2)CC1.CC(C)(C)N1CCN(C2CCC2)CC1.CC(C)(C)N1CCN(C2CCC2)CC1.CC1(F)CC(N2CCN(C(C)(C)C)CC2)C1.CC1CC(N2CCN(C(C)(C)C)CC2)C1.CC1CC(N2CCN(C(C)(C)C)CC2)C1.CC1CN(C(C)(C)C)CCN1C1CCC1
InChIInChI=1S/C13H25FN2.4C13H26N2.C13H25N.C13H23N.C13H25N.3C12H24N2.8CH4/c1-12(2,3)16-7-5-15(6-8-16)11-9-13(4,14)10-11;2*1-11-9-12(10-11)14-5-7-15(8-6-14)13(2,3)4;1-12(2,3)14-8-10-15(11-9-14)13(4)6-5-7-13;1-11-10-14(13(2,3)4)8-9-15(11)12-6-5-7-12;2*1-13(2,3)11-7-9-14(10-8-11)12-5-4-6-12;1-13(2,3)14-9-7-12(8-10-14)11-5-4-6-11;1-12(2,3)14-9-5-11(6-10-14)13-7-4-8-13;2*1-12(2,3)14-9-7-13(8-10-14)11-5-4-6-11;;;;;;;;/h11H,5-10H2,1-4H3;2*11-12H,5-10H2,1-4H3;5-11H2,1-4H3;11-12H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;7,12H,4-6,8-10H2,1-3H3;11-12H,4-10H2,1-3H3;3*11H,4-10H2,1-3H3;8*1H4
InChIKeyMFMOLZUSJSTGGO-UHFFFAOYSA-N
XLogP32.15
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.21
LogP ≤ 532.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane?
The IUPAC name of 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane (CID 159551892) is 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane.
What is the SMILES notation for 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane?
The canonical SMILES for 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane is C.C.C.C.C.C.C.C.CC(C)(C)C1=CCN(C2CCC2)CC1.CC(C)(C)C1CCN(C2CCC2)CC1.CC(C)(C)N1CCC(C2CCC2)CC1.CC(C)(C)N1CCC(N2CCC2)CC1.CC(C)(C)N1CCN(C2(C)CCC2)CC1.CC(C)(C)N1CCN(C2CCC2)CC1.CC(C)(C)N1CCN(C2CCC2)CC1.CC1(F)CC(N2CCN(C(C)(C)C)CC2)C1.CC1CC(N2CCN(C(C)(C)C)CC2)C1.CC1CC(N2CCN(C(C)(C)C)CC2)C1.CC1CN(C(C)(C)C)CCN1C1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane?
The InChIKey is MFMOLZUSJSTGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2.4C13H26N2.C13H25N.C13H23N.C13H25N.3C12H24N2.8CH4/c1-12(2,3)16-7-5-15(6-8-16)11-9-13(4,14)10-11;2*1-11-9-12(10-11)14-5-7-15(8-6-14)13(2,3)4;1-12(2,3)14-8-10-15(11-9-14)13(4)6-5-7-13;1-11-10-14(13(2,3)4)8-9-15(11)12-6-5-7-12;2*1-13(2,3)11-7-9-14(10-8-11)12-5-4-6-12;1-13(2,3)14-9-7-12(8-10-14)11-5-4-6-11;1-12(2,3)14-9-5-11(6-10-14)13-7-4-8-13;2*1-12(2,3)14-9-7-13(8-10-14)11-5-4-6-11;;;;;;;;/h11H,5-10H2,1-4H3;2*11-12H,5-10H2,1-4H3;5-11H2,1-4H3;11-12H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;7,12H,4-6,8-10H2,1-3H3;11-12H,4-10H2,1-3H3;3*11H,4-10H2,1-3H3;8*1H4.
What are the key properties of 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane?
4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane has a molecular weight of 2371.21 g/mol, XLogP of 32.15, 11 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane is sourced from PubChem (CID 159551892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).