1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one

C77H150N10O6 — CID 167581654

IUPAC1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)CCCN1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CCN1CCC(OC2CCN(CC(C)(C)C)CC2)CC1.CC(C)CN1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCN(CCOC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H38N2O2.C20H40N2O.C19H37N3O2.C18H35N3O/c1-16(2)6-5-11-21-12-7-18(8-13-21)24-19-9-14-22(15-10-19)20(23)17(3)4;1-17(2)6-11-21-12-7-18(8-13-21)23-19-9-14-22(15-10-19)16-20(3,4)5;1-16(2)15-21-11-9-20(10-12-21)13-14-24-18-5-7-22(8-6-18)19(23)17(3)4;1-15(2)13-19-9-11-20(12-10-19)14-17-5-7-21(8-6-17)18(22)16(3)4/h16-19H,5-15H2,1-4H3;17-19H,6-16H2,1-5H3;16-18H,5-15H2,1-4H3;15-17H,5-14H2,1-4H3
InChIKeyHGFZNXVTIRMDCL-UHFFFAOYSA-N
MW1312.11 g/mol
LogP11.65
Rot. Bonds25

About 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one

1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 167581654) has the molecular formula C77H150N10O6 and a molecular weight of 1312.11 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID167581654
Molecular FormulaC77H150N10O6
Molecular Weight1312.11 g/mol
Exact Mass1311.17
IUPAC Name1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)CCCN1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CCN1CCC(OC2CCN(CC(C)(C)C)CC2)CC1.CC(C)CN1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCN(CCOC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H38N2O2.C20H40N2O.C19H37N3O2.C18H35N3O/c1-16(2)6-5-11-21-12-7-18(8-13-21)24-19-9-14-22(15-10-19)20(23)17(3)4;1-17(2)6-11-21-12-7-18(8-13-21)23-19-9-14-22(15-10-19)16-20(3,4)5;1-16(2)15-21-11-9-20(10-12-21)13-14-24-18-5-7-22(8-6-18)19(23)17(3)4;1-15(2)13-19-9-11-20(12-10-19)14-17-5-7-21(8-6-17)18(22)16(3)4/h16-19H,5-15H2,1-4H3;17-19H,6-16H2,1-5H3;16-18H,5-15H2,1-4H3;15-17H,5-14H2,1-4H3
InChIKeyHGFZNXVTIRMDCL-UHFFFAOYSA-N
XLogP11.65
TPSA111.30 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.11
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one (CID 167581654) is 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one is CC(C)CCCN1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CCN1CCC(OC2CCN(CC(C)(C)C)CC2)CC1.CC(C)CN1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1.CC(C)CN1CCN(CCOC2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is HGFZNXVTIRMDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2.C20H40N2O.C19H37N3O2.C18H35N3O/c1-16(2)6-5-11-21-12-7-18(8-13-21)24-19-9-14-22(15-10-19)20(23)17(3)4;1-17(2)6-11-21-12-7-18(8-13-21)23-19-9-14-22(15-10-19)16-20(3,4)5;1-16(2)15-21-11-9-20(10-12-21)13-14-24-18-5-7-22(8-6-18)19(23)17(3)4;1-15(2)13-19-9-11-20(12-10-19)14-17-5-7-21(8-6-17)18(22)16(3)4/h16-19H,5-15H2,1-4H3;17-19H,6-16H2,1-5H3;16-18H,5-15H2,1-4H3;15-17H,5-14H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one?
1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 1312.11 g/mol, XLogP of 11.65, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine;2-methyl-1-[4-[1-(4-methylpentyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one;2-methyl-1-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 167581654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).