1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine

C14H29N3 — CID 155218428

IUPAC1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCC1CN(CC2CCN(C)CC2)CC(C)N1C
InChIInChI=1S/C14H29N3/c1-12-9-17(10-13(2)16(12)4)11-14-5-7-15(3)8-6-14/h12-14H,5-11H2,1-4H3
InChIKeySQPNQSVDXWZHII-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.35
Rot. Bonds2

About 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine

1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 155218428) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID155218428
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCC1CN(CC2CCN(C)CC2)CC(C)N1C
InChIInChI=1S/C14H29N3/c1-12-9-17(10-13(2)16(12)4)11-14-5-7-15(3)8-6-14/h12-14H,5-11H2,1-4H3
InChIKeySQPNQSVDXWZHII-UHFFFAOYSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine
CID 174261411
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane
CID 176984978
5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 162741705
ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165138024
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170616894
4-ethyl-3-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 165137857
2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 155218428) is 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine is CC1CN(CC2CCN(C)CC2)CC(C)N1C.
What is the InChIKey of 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is SQPNQSVDXWZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-9-17(10-13(2)16(12)4)11-14-5-7-15(3)8-6-14/h12-14H,5-11H2,1-4H3.
What are the key properties of 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 155218428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).