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

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Related Compounds

4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine
CID 171359040
7-[2-(Morpholin-4-yl)ethyl]-3-(2-ethoxyethyl)-3,7-diazabicyclo[3.3.1]nonane
CID 129767611
3-(3-Ethoxypropyl)-7-[2-(morpholin-4-yl)ethyl]-3,7-diazabicyclo[3.3.1]nonane
CID 129870700
4-[2-(4-Methylpiperidin-1-yl)ethyl]morpholine
CID 52114094
4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]morpholine
CID 52139732
4-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]morpholine
CID 52139734
4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]morpholine
CID 52139917
4-[2-(3-Methylpiperidin-1-yl)ethyl]morpholine
CID 66580914
1-(2-Ethoxyethyl)-1-azoniabicyclo[2.2.2]octane
CID 69236092
4-[2-(4-Ethylpiperidin-1-yl)ethyl]morpholine
CID 90942939
N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 91213420
N,N-dimethyl-2-morpholin-4-ylethanamine;bis(N,N-dimethyl-2-piperidin-1-ylethanamine)
CID 91475055

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).