1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine

C81H172N10OS — CID 157408410

About 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine

1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine (PubChem CID 157408410) has the molecular formula C81H172N10OS and a molecular weight of 1334.40 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine.

Molecular Properties

• Compound Name: 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine
• PubChem CID: 157408410
• Molecular Formula: C81H172N10OS
• Molecular Weight: 1334.40 g/mol
• Exact Mass: 1333.34
• IUPAC Name: 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine
• SMILES: CC(C)(C)CCCN1CCCC1.CC(C)(C)CCCN1CCCCC1.CC(C)(C)CCCN1CCNCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCCN1CCSCC1.CCN1CCN(CCCC(C)(C)C)CC1.CN1CCN(CCCC(C)(C)C)CC1
• InChI: InChI=1S/C13H28N2.C12H26N2.C12H25N.C11H24N2.C11H23NO.C11H23NS.C11H23N/c1-5-14-9-11-15(12-10-14)8-6-7-13(2,3)4;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-12(2,3)8-7-11-13-9-5-4-6-10-13;1-11(2,3)5-4-8-13-9-6-12-7-10-13;2*1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-11(2,3)7-6-10-12-8-4-5-9-12/h5-12H2,1-4H3;5-11H2,1-4H3;4-11H2,1-3H3;12H,4-10H2,1-3H3;2*4-10H2,1-3H3;4-10H2,1-3H3
• InChIKey: BNZNCWSLLZZTHL-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 50.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1334.40
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine?

The IUPAC name of 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine (CID 157408410) is 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine.

What is the SMILES notation for 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine?

The canonical SMILES for 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine is CC(C)(C)CCCN1CCCC1.CC(C)(C)CCCN1CCCCC1.CC(C)(C)CCCN1CCNCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCCN1CCSCC1.CCN1CCN(CCCC(C)(C)C)CC1.CN1CCN(CCCC(C)(C)C)CC1.

What is the InChIKey of 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine?

The InChIKey is BNZNCWSLLZZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C12H26N2.C12H25N.C11H24N2.C11H23NO.C11H23NS.C11H23N/c1-5-14-9-11-15(12-10-14)8-6-7-13(2,3)4;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-12(2,3)8-7-11-13-9-5-4-6-10-13;1-11(2,3)5-4-8-13-9-6-12-7-10-13;2*1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-11(2,3)7-6-10-12-8-4-5-9-12/h5-12H2,1-4H3;5-11H2,1-4H3;4-11H2,1-3H3;12H,4-10H2,1-3H3;2*4-10H2,1-3H3;4-10H2,1-3H3.

What are the key properties of 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine?

1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine has a molecular weight of 1334.40 g/mol, XLogP of 17.44, 22 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,4-dimethylpentyl)-4-ethylpiperazine;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(4,4-dimethylpentyl)thiomorpholine is sourced from PubChem (CID 157408410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).