1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine

C13H27N3 — CID 126739578

IUPAC1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine
SMILESCC1CCN(C)CC1CN1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-12-4-5-15(3)10-13(12)11-16-8-6-14(2)7-9-16/h12-13H,4-11H2,1-3H3
InChIKeyXNWGMALGPSZMDL-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.82
Rot. Bonds2

About 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine

1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine (PubChem CID 126739578) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine
PubChem CID126739578
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine
SMILESCC1CCN(C)CC1CN1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-12-4-5-15(3)10-13(12)11-16-8-6-14(2)7-9-16/h12-13H,4-11H2,1-3H3
InChIKeyXNWGMALGPSZMDL-UHFFFAOYSA-N
XLogP0.82
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-1,4-dimethylpiperidine
CID 170079512
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
3-butyl-1,4-dimethylpiperidine
CID 145095542
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
(4R)-1,4,5-trimethylazepane
CID 89169089
[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol
CID 141428112
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
(4S)-1,4-dimethyl-5-propylazepane
CID 145369444
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
2-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 62609875
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-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine (CID 126739578) is 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine is CC1CCN(C)CC1CN1CCN(C)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine?
The InChIKey is XNWGMALGPSZMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-4-5-15(3)10-13(12)11-16-8-6-14(2)7-9-16/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine?
1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine has a molecular weight of 225.38 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 126739578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).