1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine

C117H247N27O4 — CID 158440589

About 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine

1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine (PubChem CID 158440589) has the molecular formula C117H247N27O4 and a molecular weight of 2096.45 g/mol. Its IUPAC name is 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

• Compound Name: 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine
• PubChem CID: 158440589
• Molecular Formula: C117H247N27O4
• Molecular Weight: 2096.45 g/mol
• Exact Mass: 2095.00
• IUPAC Name: 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine
• SMILES: CC1CCN(C)CC1.CN1CCC(N(C)C)CC1.CN1CCC(N2CCC(O)CC2)C1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCN(C)CC2)CC1.CN1CCC(N2CCCOCC2)CC1.CN1CCC(N2CCN(C)CC2)CC1.CN1CCC(N2CCN(C)CC2)CC1.CN1CCC(N2CCOCC2)CC1.CN1CCCC(N(C)C)C1.CN1CCCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1
• InChI: InChI=1S/C12H25N3.2C11H23N3.C11H22N2O.C11H22N2.2C10H20N2O.2C8H18N2.C7H16N2.C7H15N.C6H14N2.C5H11NO/c1-13-6-3-7-15(11-10-13)12-4-8-14(2)9-5-12;2*1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;1-12-6-3-11(4-7-12)13-5-2-9-14-10-8-13;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-5-2-9(8-11)12-6-3-10(13)4-7-12;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12;1-9(2)8-4-6-10(3)7-5-8;1-9(2)8-5-4-6-10(3)7-8;1-8-4-3-5-9(2)7-6-8;2*1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6/h12H,3-11H2,1-2H3;2*11H,3-10H2,1-2H3;11H,2-10H2,1H3;11H,2-10H2,1H3;9-10,13H,2-8H2,1H3;10H,2-9H2,1H3;2*8H,4-7H2,1-3H3;3-7H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3
• InChIKey: HCTLVNKHKIYVNI-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 135.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.45
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine?

The IUPAC name of 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine (CID 158440589) is 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine.

What is the SMILES notation for 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine?

The canonical SMILES for 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine is CC1CCN(C)CC1.CN1CCC(N(C)C)CC1.CN1CCC(N2CCC(O)CC2)C1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCN(C)CC2)CC1.CN1CCC(N2CCCOCC2)CC1.CN1CCC(N2CCN(C)CC2)CC1.CN1CCC(N2CCN(C)CC2)CC1.CN1CCC(N2CCOCC2)CC1.CN1CCCC(N(C)C)C1.CN1CCCN(C)CC1.CN1CCN(C)CC1.CN1CCOCC1.

What is the InChIKey of 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine?

The InChIKey is HCTLVNKHKIYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.2C11H23N3.C11H22N2O.C11H22N2.2C10H20N2O.2C8H18N2.C7H16N2.C7H15N.C6H14N2.C5H11NO/c1-13-6-3-7-15(11-10-13)12-4-8-14(2)9-5-12;2*1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;1-12-6-3-11(4-7-12)13-5-2-9-14-10-8-13;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-11-5-2-9(8-11)12-6-3-10(13)4-7-12;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12;1-9(2)8-4-6-10(3)7-5-8;1-9(2)8-5-4-6-10(3)7-8;1-8-4-3-5-9(2)7-6-8;2*1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6/h12H,3-11H2,1-2H3;2*11H,3-10H2,1-2H3;11H,2-10H2,1H3;11H,2-10H2,1H3;9-10,13H,2-8H2,1H3;10H,2-9H2,1H3;2*8H,4-7H2,1-3H3;3-7H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2-5H2,1H3.

What are the key properties of 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine?

1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 2096.45 g/mol, XLogP of 7.00, 9 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane;bis(1-methyl-4-(1-methylpiperidin-4-yl)piperazine);4-methylmorpholine;4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)-1,4-oxazepane;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpyrrolidin-3-yl)piperidin-4-ol;N,N,1-trimethylpiperidin-3-amine;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 158440589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).