1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine

C26H59N5 — CID 161233752

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
SMILESC.CC1CCCN1C.CC1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C6H14N2.2C6H13N.CH4/c2*1-7-3-5-8(2)6-4-7;1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;2-6H2,1H3;1H4
InChIKeyUZCDBWIYBLGWGQ-UHFFFAOYSA-N
MW441.79 g/mol
LogP4.05
Rot. Bonds

About 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine

1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine (PubChem CID 161233752) has the molecular formula C26H59N5 and a molecular weight of 441.79 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
PubChem CID161233752
Molecular FormulaC26H59N5
Molecular Weight441.79 g/mol
Exact Mass441.48
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
SMILESC.CC1CCCN1C.CC1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C6H14N2.2C6H13N.CH4/c2*1-7-3-5-8(2)6-4-7;1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;2-6H2,1H3;1H4
InChIKeyUZCDBWIYBLGWGQ-UHFFFAOYSA-N
XLogP4.05
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.79
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 98741869
2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
CID 171359115
4,4-Difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine
CID 161274417
1-Tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)-3-fluoropiperidin-4-yl]methyl]piperazine
CID 172110218
1-Tert-butyl-4-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine
CID 172110356
1-(1-Tert-butyl-3-fluoropiperidin-4-yl)-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine
CID 172110399
1-Ethyl-4-[[1-(3-fluoro-1,1-dimethylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]piperazine
CID 175622910
1-[[3-Fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 175622915
1-[[1-(1-Tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176760614
2-[(1-isopropylpiperidin-4-yl)methyl]-8-methyloctahydro-2H-pyrazino[1,2-a]pyrazine
CID 50957566
N,N-dipropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 53831323
N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine
CID 54431570

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine (CID 161233752) is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine is C.CC1CCCN1C.CC1CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine?
The InChIKey is UZCDBWIYBLGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H14N2.2C6H13N.CH4/c2*1-7-3-5-8(2)6-4-7;1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;2-6H2,1H3;1H4.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine?
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine has a molecular weight of 441.79 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine is sourced from PubChem (CID 161233752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).