1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine

C23H47N5 — CID 142839665

IUPAC1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine
SMILESCN1CCC(N2CCCCC2)CC1.CN1CCN(CC2CCCN(C)C2)CC1
InChIInChI=1S/C12H25N3.C11H22N2/c1-13-6-8-15(9-7-13)11-12-4-3-5-14(2)10-12;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h12H,3-11H2,1-2H3;11H,2-10H2,1H3
InChIKeyAOWCNWKUKXXWPT-UHFFFAOYSA-N
MW393.66 g/mol
LogP2.14
Rot. Bonds3

About 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine

1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine (PubChem CID 142839665) has the molecular formula C23H47N5 and a molecular weight of 393.66 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine
PubChem CID142839665
Molecular FormulaC23H47N5
Molecular Weight393.66 g/mol
Exact Mass393.38
IUPAC Name1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine
SMILESCN1CCC(N2CCCCC2)CC1.CN1CCN(CC2CCCN(C)C2)CC1
InChIInChI=1S/C12H25N3.C11H22N2/c1-13-6-8-15(9-7-13)11-12-4-3-5-14(2)10-12;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h12H,3-11H2,1-2H3;11H,2-10H2,1H3
InChIKeyAOWCNWKUKXXWPT-UHFFFAOYSA-N
XLogP2.14
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-Piperidyl)-1-[3-[4-(1-piperidyl)-1-piperidyl]propyl]piperidine
CID 455458
2-[4-(3-Fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 170006948
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-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 57105686
2-(Piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane
CID 57219913
2-(2-Methylpropyl)-1,4-diazabicyclo[2.2.2]octane
CID 59691677
3-(4-Methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 70902451
3-(4-Tert-butylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 70995671
3-(4-Ethylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 70997014
1-Methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine (CID 142839665) is 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine is CN1CCC(N2CCCCC2)CC1.CN1CCN(CC2CCCN(C)C2)CC1.
What is the InChIKey of 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine?
The InChIKey is AOWCNWKUKXXWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C11H22N2/c1-13-6-8-15(9-7-13)11-12-4-3-5-14(2)10-12;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h12H,3-11H2,1-2H3;11H,2-10H2,1H3.
What are the key properties of 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine?
1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine has a molecular weight of 393.66 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 142839665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).