methane;1-methylpiperazine;piperidine;bis(propan-1-ol)

C17H43N3O2 — CID 163895753

IUPACmethane;1-methylpiperazine;piperidine;bis(propan-1-ol)
SMILESC.C1CCNCC1.CCCO.CCCO.CN1CCNCC1
InChIInChI=1S/C5H12N2.C5H11N.2C3H8O.CH4/c1-7-4-2-6-3-5-7;1-2-4-6-5-3-1;2*1-2-3-4;/h6H,2-5H2,1H3;6H,1-5H2;2*4H,2-3H2,1H3;1H4
InChIKeyQFLLYGQEEHLTEJ-UHFFFAOYSA-N
MW321.55 g/mol
LogP1.69
Rot. Bonds2

About methane;1-methylpiperazine;piperidine;bis(propan-1-ol)

methane;1-methylpiperazine;piperidine;bis(propan-1-ol) (PubChem CID 163895753) has the molecular formula C17H43N3O2 and a molecular weight of 321.55 g/mol. Its IUPAC name is methane;1-methylpiperazine;piperidine;bis(propan-1-ol).

Molecular Properties

Compound Namemethane;1-methylpiperazine;piperidine;bis(propan-1-ol)
PubChem CID163895753
Molecular FormulaC17H43N3O2
Molecular Weight321.55 g/mol
Exact Mass321.34
IUPAC Namemethane;1-methylpiperazine;piperidine;bis(propan-1-ol)
SMILESC.C1CCNCC1.CCCO.CCCO.CN1CCNCC1
InChIInChI=1S/C5H12N2.C5H11N.2C3H8O.CH4/c1-7-4-2-6-3-5-7;1-2-4-6-5-3-1;2*1-2-3-4;/h6H,2-5H2,1H3;6H,1-5H2;2*4H,2-3H2,1H3;1H4
InChIKeyQFLLYGQEEHLTEJ-UHFFFAOYSA-N
XLogP1.69
TPSA67.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 164970111
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CID 158850243
cyclopropane;1-methylpiperazine
CID 166166790
hexadecan-1-ol;1-methylpiperazine
CID 68840724
1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
CID 160957043
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949
1-methyl-1,4-diazepane
CID 161378839
ethane;methane;1-methylpiperazine
CID 142051303
cyclopentane;N-methylmethanamine;1-methylpiperazine
CID 143761923
1-methyl-1,6,11,16-tetrazacycloicosane
CID 22113601
1,6-dimethyl-1,6,11,16-tetrazacycloicosane
CID 22113785

Frequently Asked Questions

What is the IUPAC name of methane;1-methylpiperazine;piperidine;bis(propan-1-ol)?
The IUPAC name of methane;1-methylpiperazine;piperidine;bis(propan-1-ol) (CID 163895753) is methane;1-methylpiperazine;piperidine;bis(propan-1-ol).
What is the SMILES notation for methane;1-methylpiperazine;piperidine;bis(propan-1-ol)?
The canonical SMILES for methane;1-methylpiperazine;piperidine;bis(propan-1-ol) is C.C1CCNCC1.CCCO.CCCO.CN1CCNCC1.
What is the InChIKey of methane;1-methylpiperazine;piperidine;bis(propan-1-ol)?
The InChIKey is QFLLYGQEEHLTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C5H11N.2C3H8O.CH4/c1-7-4-2-6-3-5-7;1-2-4-6-5-3-1;2*1-2-3-4;/h6H,2-5H2,1H3;6H,1-5H2;2*4H,2-3H2,1H3;1H4.
What are the key properties of methane;1-methylpiperazine;piperidine;bis(propan-1-ol)?
methane;1-methylpiperazine;piperidine;bis(propan-1-ol) has a molecular weight of 321.55 g/mol, XLogP of 1.69, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylpiperazine;piperidine;bis(propan-1-ol) is sourced from PubChem (CID 163895753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).