4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine

C112H227N13O2 — CID 158238177

IUPAC4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)(C)CCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(OC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C22H45N3.C21H42N2.C20H41N3.C20H40N2O.C15H31N.C14H28N2O/c1-21(2,3)11-7-8-12-23-13-9-20(10-14-23)19-24-15-17-25(18-16-24)22(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-19-9-14-23(15-10-19)21(4,5)6;1-19(2,3)9-12-21-10-7-18(8-11-21)17-22-13-15-23(16-14-22)20(4,5)6;1-19(2,3)11-16-21-12-7-17(8-13-21)23-18-9-14-22(15-10-18)20(4,5)6;1-14(2,3)10-7-13-8-11-16(12-9-13)15(4,5)6;1-13(2,3)7-8-15-9-10-16(11-12(15)17)14(4,5)6/h20H,7-19H2,1-6H3;18-19H,7-17H2,1-6H3;18H,7-17H2,1-6H3;17-18H,7-16H2,1-6H3;13H,7-12H2,1-6H3;7-11H2,1-6H3
InChIKeyGFFMONMQQZMSSQ-UHFFFAOYSA-N
MW1788.14 g/mol
LogP23.77
Rot. Bonds22

About 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine

4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine (PubChem CID 158238177) has the molecular formula C112H227N13O2 and a molecular weight of 1788.14 g/mol. Its IUPAC name is 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
PubChem CID158238177
Molecular FormulaC112H227N13O2
Molecular Weight1788.14 g/mol
Exact Mass1786.81
IUPAC Name4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
SMILESCC(C)(C)CCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(OC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C22H45N3.C21H42N2.C20H41N3.C20H40N2O.C15H31N.C14H28N2O/c1-21(2,3)11-7-8-12-23-13-9-20(10-14-23)19-24-15-17-25(18-16-24)22(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-19-9-14-23(15-10-19)21(4,5)6;1-19(2,3)9-12-21-10-7-18(8-11-21)17-22-13-15-23(16-14-22)20(4,5)6;1-19(2,3)11-16-21-12-7-17(8-13-21)23-18-9-14-22(15-10-18)20(4,5)6;1-14(2,3)10-7-13-8-11-16(12-9-13)15(4,5)6;1-13(2,3)7-8-15-9-10-16(11-12(15)17)14(4,5)6/h20H,7-19H2,1-6H3;18-19H,7-17H2,1-6H3;18H,7-17H2,1-6H3;17-18H,7-16H2,1-6H3;13H,7-12H2,1-6H3;7-11H2,1-6H3
InChIKeyGFFMONMQQZMSSQ-UHFFFAOYSA-N
XLogP23.77
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001788.14
LogP ≤ 523.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine (CID 158238177) is 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine is CC(C)(C)CCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(OC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1=O.
What is the InChIKey of 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is GFFMONMQQZMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3.C21H42N2.C20H41N3.C20H40N2O.C15H31N.C14H28N2O/c1-21(2,3)11-7-8-12-23-13-9-20(10-14-23)19-24-15-17-25(18-16-24)22(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-19-9-14-23(15-10-19)21(4,5)6;1-19(2,3)9-12-21-10-7-18(8-11-21)17-22-13-15-23(16-14-22)20(4,5)6;1-19(2,3)11-16-21-12-7-17(8-13-21)23-18-9-14-22(15-10-18)20(4,5)6;1-14(2,3)10-7-13-8-11-16(12-9-13)15(4,5)6;1-13(2,3)7-8-15-9-10-16(11-12(15)17)14(4,5)6/h20H,7-19H2,1-6H3;18-19H,7-17H2,1-6H3;18H,7-17H2,1-6H3;17-18H,7-16H2,1-6H3;13H,7-12H2,1-6H3;7-11H2,1-6H3.
What are the key properties of 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine?
4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 1788.14 g/mol, XLogP of 23.77, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 158238177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).