1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine

C63H135N9O4 — CID 159770755

IUPAC1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine
SMILESCC(C)CCCN1CCCC1.CC(C)CCCN1CCOCC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)CN1CCOCC1.COCCN1CCN(CC(C)C)CC1.COCCN1CCN(CCCC(C)C)CC1
InChIInChI=1S/C13H28N2O.C11H24N2O.C11H24N2.C10H21NO.C10H21N.C8H17NO/c1-13(2)5-4-6-14-7-9-15(10-8-14)11-12-16-3;1-11(2)10-13-6-4-12(5-7-13)8-9-14-3;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)6-5-9-11-7-3-4-8-11;1-8(2)7-9-3-5-10-6-4-9/h13H,4-12H2,1-3H3;11H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyNGBTYBRIHFVAGP-UHFFFAOYSA-N
MW1082.83 g/mol
LogP9.51
Rot. Bonds25

About 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine

1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine (PubChem CID 159770755) has the molecular formula C63H135N9O4 and a molecular weight of 1082.83 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine
PubChem CID159770755
Molecular FormulaC63H135N9O4
Molecular Weight1082.83 g/mol
Exact Mass1082.06
IUPAC Name1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine
SMILESCC(C)CCCN1CCCC1.CC(C)CCCN1CCOCC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)CN1CCOCC1.COCCN1CCN(CC(C)C)CC1.COCCN1CCN(CCCC(C)C)CC1
InChIInChI=1S/C13H28N2O.C11H24N2O.C11H24N2.C10H21NO.C10H21N.C8H17NO/c1-13(2)5-4-6-14-7-9-15(10-8-14)11-12-16-3;1-11(2)10-13-6-4-12(5-7-13)8-9-14-3;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)6-5-9-11-7-3-4-8-11;1-8(2)7-9-3-5-10-6-4-9/h13H,4-12H2,1-3H3;11H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyNGBTYBRIHFVAGP-UHFFFAOYSA-N
XLogP9.51
TPSA66.08 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.83
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine (CID 159770755) is 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine is CC(C)CCCN1CCCC1.CC(C)CCCN1CCOCC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)CN1CCOCC1.COCCN1CCN(CC(C)C)CC1.COCCN1CCN(CCCC(C)C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine?
The InChIKey is NGBTYBRIHFVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.C11H24N2O.C11H24N2.C10H21NO.C10H21N.C8H17NO/c1-13(2)5-4-6-14-7-9-15(10-8-14)11-12-16-3;1-11(2)10-13-6-4-12(5-7-13)8-9-14-3;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-10(2)4-3-5-11-6-8-12-9-7-11;1-10(2)6-5-9-11-7-3-4-8-11;1-8(2)7-9-3-5-10-6-4-9/h13H,4-12H2,1-3H3;11H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine?
1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine has a molecular weight of 1082.83 g/mol, XLogP of 9.51, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(4-methylpentyl)piperazine;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(4-methylpentyl)morpholine;1-(4-methylpentyl)pyrrolidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 159770755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).