2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

C106H216N20O3 — CID 160687207

IUPAC2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
SMILESCC(=O)N1CCCN(C(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCN(C)CC2)C1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1CCN(C2CN(C)C2)CC1.CCOC1CCN(C(C)C)CC1
InChIInChI=1S/C13H27N3.2C13H26N2.C12H25N3.C12H24N2O.C12H24N2.C11H23N3.C10H20N2O.C10H21NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;2*1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)15-5-4-12(10-15)14-8-6-13(3)7-9-14;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-4-12-10-5-7-11(8-6-10)9(2)3/h12-13H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;11-12H,4-10H2,1-3H3;10H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;10-11H,4-9H2,1-3H3;9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3
InChIKeyROXOYWOYELLVJR-UHFFFAOYSA-N
MW1819.03 g/mol
LogP13.22
Rot. Bonds17

About 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (PubChem CID 160687207) has the molecular formula C106H216N20O3 and a molecular weight of 1819.03 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
PubChem CID160687207
Molecular FormulaC106H216N20O3
Molecular Weight1819.03 g/mol
Exact Mass1817.74
IUPAC Name2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
SMILESCC(=O)N1CCCN(C(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCN(C)CC2)C1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1CCN(C2CN(C)C2)CC1.CCOC1CCN(C(C)C)CC1
InChIInChI=1S/C13H27N3.2C13H26N2.C12H25N3.C12H24N2O.C12H24N2.C11H23N3.C10H20N2O.C10H21NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;2*1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)15-5-4-12(10-15)14-8-6-13(3)7-9-14;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-4-12-10-5-7-11(8-6-10)9(2)3/h12-13H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;11-12H,4-10H2,1-3H3;10H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;10-11H,4-9H2,1-3H3;9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3
InChIKeyROXOYWOYELLVJR-UHFFFAOYSA-N
XLogP13.22
TPSA108.17 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001819.03
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (CID 160687207) is 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is CC(=O)N1CCCN(C(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCN(C)CC2)C1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1CCN(C2CN(C)C2)CC1.CCOC1CCN(C(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is ROXOYWOYELLVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.2C13H26N2.C12H25N3.C12H24N2O.C12H24N2.C11H23N3.C10H20N2O.C10H21NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;2*1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)15-5-4-12(10-15)14-8-6-13(3)7-9-14;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-4-12-10-5-7-11(8-6-10)9(2)3/h12-13H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;11-12H,4-10H2,1-3H3;10H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;10-11H,4-9H2,1-3H3;9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 1819.03 g/mol, XLogP of 13.22, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-ethoxy-1-propan-2-ylpiperidine;1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 160687207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).