1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane

C30H73N5 — CID 158927525

IUPAC1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane
SMILESC.C.C.C.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.C6H14N2.C6H13N.4CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;;;;/h2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;4*1H4
InChIKeyJIPZGSCQOWVULT-UHFFFAOYSA-N
MW503.95 g/mol
LogP6.06
Rot. Bonds

About 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane

1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane (PubChem CID 158927525) has the molecular formula C30H73N5 and a molecular weight of 503.95 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane
PubChem CID158927525
Molecular FormulaC30H73N5
Molecular Weight503.95 g/mol
Exact Mass503.59
IUPAC Name1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane
SMILESC.C.C.C.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.C6H14N2.C6H13N.4CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;;;;/h2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;4*1H4
InChIKeyJIPZGSCQOWVULT-UHFFFAOYSA-N
XLogP6.06
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.95
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-Difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine
CID 161274417
1-Azabicyclo[2.2.2]octane;1-methylpyrrolidine
CID 70134138
1,4-Dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine
CID 90873610
1-[(1-Methylpyrrolidin-3-yl)methyl]-4-(2-piperidin-1-ylethyl)piperazine
CID 129200316
1-(2-Methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine
CID 129276826
1-[(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]ethyl]-4-propylpiperazine
CID 129281065
1-Methyl-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]piperazine
CID 132097807
1-[2-(4-Methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine
CID 134582815
4-Piperidin-1-yl-1-[2-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]propan-2-yl]piperidine
CID 138517361
1-Tert-butyl-4-[[1-[5-[4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 138656878
1-Methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine
CID 142839730
1,4-Dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpiperidine
CID 142867128

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane?
The IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane (CID 158927525) is 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane.
What is the SMILES notation for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane?
The canonical SMILES for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane is C.C.C.C.CC1CCCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane?
The InChIKey is JIPZGSCQOWVULT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.C6H14N2.C6H13N.4CH4/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;;;;/h2*7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;4*1H4.
What are the key properties of 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane?
1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane has a molecular weight of 503.95 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane is sourced from PubChem (CID 158927525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).