1-methylpiperazine;piperazine;piperidine;pyrrolidine

C18H42N6 — CID 158850243

IUPAC1-methylpiperazine;piperazine;piperidine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CNCCN1.CN1CCNCC1
InChIInChI=1S/C5H12N2.C5H11N.C4H10N2.C4H9N/c1-7-4-2-6-3-5-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1/h6H,2-5H2,1H3;6H,1-5H2;5-6H,1-4H2;5H,1-4H2
InChIKeyIZIXNJJHNPUHGQ-UHFFFAOYSA-N
MW342.58 g/mol
LogP-0.17
Rot. Bonds

About 1-methylpiperazine;piperazine;piperidine;pyrrolidine

1-methylpiperazine;piperazine;piperidine;pyrrolidine (PubChem CID 158850243) has the molecular formula C18H42N6 and a molecular weight of 342.58 g/mol. Its IUPAC name is 1-methylpiperazine;piperazine;piperidine;pyrrolidine.

Molecular Properties

Compound Name1-methylpiperazine;piperazine;piperidine;pyrrolidine
PubChem CID158850243
Molecular FormulaC18H42N6
Molecular Weight342.58 g/mol
Exact Mass342.35
IUPAC Name1-methylpiperazine;piperazine;piperidine;pyrrolidine
SMILESC1CCNC1.C1CCNCC1.C1CNCCN1.CN1CCNCC1
InChIInChI=1S/C5H12N2.C5H11N.C4H10N2.C4H9N/c1-7-4-2-6-3-5-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1/h6H,2-5H2,1H3;6H,1-5H2;5-6H,1-4H2;5H,1-4H2
InChIKeyIZIXNJJHNPUHGQ-UHFFFAOYSA-N
XLogP-0.17
TPSA63.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 5-0.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylpiperazine;bis(piperidine);pyrrolidine
CID 164970111
cyclopropane;1-methylpiperazine
CID 166166790
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949
1-methyl-1,4-diazepane
CID 161378839
cyclopentane;N-methylmethanamine;1-methylpiperazine
CID 143761923
1-methyl-1,6,11,16-tetrazacycloicosane
CID 22113601
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621
1,6-dimethyl-1,6,11,16-tetrazacycloicosane
CID 22113785
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;piperazine;piperidine;pyrrolidine?
The IUPAC name of 1-methylpiperazine;piperazine;piperidine;pyrrolidine (CID 158850243) is 1-methylpiperazine;piperazine;piperidine;pyrrolidine.
What is the SMILES notation for 1-methylpiperazine;piperazine;piperidine;pyrrolidine?
The canonical SMILES for 1-methylpiperazine;piperazine;piperidine;pyrrolidine is C1CCNC1.C1CCNCC1.C1CNCCN1.CN1CCNCC1.
What is the InChIKey of 1-methylpiperazine;piperazine;piperidine;pyrrolidine?
The InChIKey is IZIXNJJHNPUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C5H11N.C4H10N2.C4H9N/c1-7-4-2-6-3-5-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1/h6H,2-5H2,1H3;6H,1-5H2;5-6H,1-4H2;5H,1-4H2.
What are the key properties of 1-methylpiperazine;piperazine;piperidine;pyrrolidine?
1-methylpiperazine;piperazine;piperidine;pyrrolidine has a molecular weight of 342.58 g/mol, XLogP of -0.17, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;piperazine;piperidine;pyrrolidine is sourced from PubChem (CID 158850243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).