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

C13H27N3 — CID 107165309

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine
SMILESCC1CN(CC2(C)CCN(C)CC2)CCN1
InChIInChI=1S/C13H27N3/c1-12-10-16(9-6-14-12)11-13(2)4-7-15(3)8-5-13/h12,14H,4-11H2,1-3H3
InChIKeySZMRVSLDXXGQIL-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds2

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

1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine (PubChem CID 107165309) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine
PubChem CID107165309
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine
SMILESCC1CN(CC2(C)CCN(C)CC2)CCN1
InChIInChI=1S/C13H27N3/c1-12-10-16(9-6-14-12)11-13(2)4-7-15(3)8-5-13/h12,14H,4-11H2,1-3H3
InChIKeySZMRVSLDXXGQIL-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine (CID 107165309) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine is CC1CN(CC2(C)CCN(C)CC2)CCN1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine?
The InChIKey is SZMRVSLDXXGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-10-16(9-6-14-12)11-13(2)4-7-15(3)8-5-13/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 107165309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).