4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine

C13H27N3O — CID 114284458

IUPAC4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine
SMILESCOC1(CN2CCN(C)C(C)C2)CCNCC1
InChIInChI=1S/C13H27N3O/c1-12-10-16(9-8-15(12)2)11-13(17-3)4-6-14-7-5-13/h12,14H,4-11H2,1-3H3
InChIKeyFZBSEPNAICPATA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds3

About 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine

4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine (PubChem CID 114284458) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine
PubChem CID114284458
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine
SMILESCOC1(CN2CCN(C)C(C)C2)CCNCC1
InChIInChI=1S/C13H27N3O/c1-12-10-16(9-8-15(12)2)11-13(17-3)4-6-14-7-5-13/h12,14H,4-11H2,1-3H3
InChIKeyFZBSEPNAICPATA-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol
CID 63608638
2-ethyl-4-[(4-methoxypiperidin-4-yl)methyl]thiomorpholine
CID 114284469
1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine
CID 59049794
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
4-[[1-(bromomethyl)cycloheptyl]methyl]-1,2-dimethylpiperazine
CID 65008123
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63620081
4-(4-chlorobutyl)-1,2-dimethylpiperazine
CID 63635546
(4-methoxypiperidin-4-yl)methanamine
CID 84648969
1-(1,4-diazepan-1-yl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63611089
1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine
CID 63621062
1,2-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819532

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine?
The IUPAC name of 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine (CID 114284458) is 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine.
What is the SMILES notation for 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine?
The canonical SMILES for 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine is COC1(CN2CCN(C)C(C)C2)CCNCC1.
What is the InChIKey of 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine?
The InChIKey is FZBSEPNAICPATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12-10-16(9-8-15(12)2)11-13(17-3)4-6-14-7-5-13/h12,14H,4-11H2,1-3H3.
What are the key properties of 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine?
4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxypiperidin-4-yl)methyl]-1,2-dimethylpiperazine is sourced from PubChem (CID 114284458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).