2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine

C17H35N3O — CID 134505923

IUPAC2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine
SMILESCC(C)(C)CC1CNCC(CCCCN2CCNCC2)O1
InChIInChI=1S/C17H35N3O/c1-17(2,3)12-16-14-19-13-15(21-16)6-4-5-9-20-10-7-18-8-11-20/h15-16,18-19H,4-14H2,1-3H3
InChIKeyKCTHOEDDKDMQLY-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.86
Rot. Bonds6

About 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine

2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine (PubChem CID 134505923) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine
PubChem CID134505923
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine
SMILESCC(C)(C)CC1CNCC(CCCCN2CCNCC2)O1
InChIInChI=1S/C17H35N3O/c1-17(2,3)12-16-14-19-13-15(21-16)6-4-5-9-20-10-7-18-8-11-20/h15-16,18-19H,4-14H2,1-3H3
InChIKeyKCTHOEDDKDMQLY-UHFFFAOYSA-N
XLogP1.86
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[(2S,3S,4S,5S)-4-butan-2-yl-3,4,5-trimethyloxolan-2-yl]methyl]piperazine
CID 117980026
2-Methyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]-4-propan-2-ylmorpholine
CID 123628455
2,4-Dimethyl-6-[2-(6-methyl-4-propan-2-ylpiperazin-2-yl)ethyl]morpholine
CID 123755933
N'-[3-[4-(2,2-dimethylpropyl)morpholin-2-yl]-2,2-dimethylpropyl]-N'-ethyl-N-methylethane-1,2-diamine
CID 129179104
4-Butyl-2-(2-methyl-4-piperazin-1-ylbutyl)morpholine
CID 132252731
4-(3-Methylbutyl)-2-(2-methyl-4-piperazin-1-ylbutyl)morpholine
CID 132252735
3-methyl-N-[2-methyl-3-[4-(3-methylbutyl)-6-(2-methyl-4-piperazin-1-ylbutyl)morpholin-2-yl]propyl]butan-1-amine
CID 132255722
4-(3,3-Dimethylbutyl)-2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butyl]morpholine
CID 134232971
2-(2,2-Dimethyl-4-morpholin-4-ylbutyl)-4-(2,2-dimethylpropyl)morpholine
CID 135275183
5-Tert-butyl-2-(2-methyl-2-morpholin-2-ylpropyl)morpholine
CID 135299803
1,2-dimethylpiperidine;ethane;N-methyl-1-(oxolan-2-yl)methanamine;1,3,5-trimethylpiperidine
CID 143283923
Ethane;8-[(5-methyloxolan-2-yl)methyl]-4-oxa-1,8-diazaspiro[5.5]undecane
CID 145365004

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine?
The IUPAC name of 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine (CID 134505923) is 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine is CC(C)(C)CC1CNCC(CCCCN2CCNCC2)O1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine?
The InChIKey is KCTHOEDDKDMQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-17(2,3)12-16-14-19-13-15(21-16)6-4-5-9-20-10-7-18-8-11-20/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine?
2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine has a molecular weight of 297.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6-(4-piperazin-1-ylbutyl)morpholine is sourced from PubChem (CID 134505923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).