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

C23H48N6 — CID 91309276

IUPAC1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
SMILESCN1CCC(CN2CCN(C)CC2)CC1.CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C12H25N3.C11H23N3/c1-13-5-3-12(4-6-13)11-15-9-7-14(2)8-10-15;1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14/h12H,3-11H2,1-2H3;11H,3-10H2,1-2H3
InChIKeyBQQIGEVRWLABGD-UHFFFAOYSA-N
MW408.68 g/mol
LogP0.90
Rot. Bonds3

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

1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 91309276) has the molecular formula C23H48N6 and a molecular weight of 408.68 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID91309276
Molecular FormulaC23H48N6
Molecular Weight408.68 g/mol
Exact Mass408.39
IUPAC Name1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
SMILESCN1CCC(CN2CCN(C)CC2)CC1.CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C12H25N3.C11H23N3/c1-13-5-3-12(4-6-13)11-15-9-7-14(2)8-10-15;1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14/h12H,3-11H2,1-2H3;11H,3-10H2,1-2H3
InChIKeyBQQIGEVRWLABGD-UHFFFAOYSA-N
XLogP0.90
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-Piperidyl)-1-[3-[4-(1-piperidyl)-1-piperidyl]propyl]piperidine
CID 455458
(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-[4-(3-Fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 170006948
1-[3,3-Difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171723127
1-Tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine
CID 171723137
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)-3-fluoropiperidin-4-yl]methyl]piperazine
CID 172110304
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-[(1-Tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-(1-tert-butylpiperidin-4-yl)piperazine
CID 172110824
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine (CID 91309276) is 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine is CN1CCC(CN2CCN(C)CC2)CC1.CN1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is BQQIGEVRWLABGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C11H23N3/c1-13-5-3-12(4-6-13)11-15-9-7-14(2)8-10-15;1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14/h12H,3-11H2,1-2H3;11H,3-10H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 408.68 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 91309276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).