1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine

C32H72N4O — CID 156820865

IUPAC1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine
SMILESCC.CC(C)CCN1CCCCC1.CCC(C)C.CCCCN1CCN(C)CC1.CCN1CCOCC1
InChIInChI=1S/C10H21N.C9H20N2.C6H13NO.C5H12.C2H6/c1-10(2)6-9-11-7-4-3-5-8-11;1-3-4-5-11-8-6-10(2)7-9-11;1-2-7-3-5-8-6-4-7;1-4-5(2)3;1-2/h10H,3-9H2,1-2H3;3-9H2,1-2H3;2-6H2,1H3;5H,4H2,1-3H3;1-2H3
InChIKeyXVCOIEMPNMSIGI-UHFFFAOYSA-N
MW528.96 g/mol
LogP6.97
Rot. Bonds8

About 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine

1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine (PubChem CID 156820865) has the molecular formula C32H72N4O and a molecular weight of 528.96 g/mol. Its IUPAC name is 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine
PubChem CID156820865
Molecular FormulaC32H72N4O
Molecular Weight528.96 g/mol
Exact Mass528.57
IUPAC Name1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine
SMILESCC.CC(C)CCN1CCCCC1.CCC(C)C.CCCCN1CCN(C)CC1.CCN1CCOCC1
InChIInChI=1S/C10H21N.C9H20N2.C6H13NO.C5H12.C2H6/c1-10(2)6-9-11-7-4-3-5-8-11;1-3-4-5-11-8-6-10(2)7-9-11;1-2-7-3-5-8-6-4-7;1-4-5(2)3;1-2/h10H,3-9H2,1-2H3;3-9H2,1-2H3;2-6H2,1H3;5H,4H2,1-3H3;1-2H3
InChIKeyXVCOIEMPNMSIGI-UHFFFAOYSA-N
XLogP6.97
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.96
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine?
The IUPAC name of 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine (CID 156820865) is 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine.
What is the SMILES notation for 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine?
The canonical SMILES for 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine is CC.CC(C)CCN1CCCCC1.CCC(C)C.CCCCN1CCN(C)CC1.CCN1CCOCC1.
What is the InChIKey of 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine?
The InChIKey is XVCOIEMPNMSIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C6H13NO.C5H12.C2H6/c1-10(2)6-9-11-7-4-3-5-8-11;1-3-4-5-11-8-6-10(2)7-9-11;1-2-7-3-5-8-6-4-7;1-4-5(2)3;1-2/h10H,3-9H2,1-2H3;3-9H2,1-2H3;2-6H2,1H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine?
1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine has a molecular weight of 528.96 g/mol, XLogP of 6.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpiperazine;ethane;4-ethylmorpholine;2-methylbutane;1-(3-methylbutyl)piperidine is sourced from PubChem (CID 156820865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).