1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine

C15H31N3 — CID 107165362

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(CC2(C)CCN(C)CC2)C(C)CN1
InChIInChI=1S/C15H31N3/c1-5-14-11-18(13(2)10-16-14)12-15(3)6-8-17(4)9-7-15/h13-14,16H,5-12H2,1-4H3
InChIKeyTVVKMBNGQOGIDA-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds3

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine

1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine (PubChem CID 107165362) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine
PubChem CID107165362
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(CC2(C)CCN(C)CC2)C(C)CN1
InChIInChI=1S/C15H31N3/c1-5-14-11-18(13(2)10-16-14)12-15(3)6-8-17(4)9-7-15/h13-14,16H,5-12H2,1-4H3
InChIKeyTVVKMBNGQOGIDA-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-methylcyclopentyl)methyl]-5-propylpiperazine
CID 64942183
5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine
CID 107165359
5-ethyl-2-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64841710
5-ethyl-2-methyl-1-(7-methyloctyl)piperazine
CID 107818456
5-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 106211860
1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-ethyl-2-methylpiperidin-4-amine
CID 107164166
1-(2-ethoxy-2-methylpropyl)-5-ethyl-2-methylpiperazine
CID 114944386
5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055600
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947185
5-ethyl-1-(3-methoxy-2-methylpropyl)-2-methylpiperazine
CID 64945817
1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine
CID 114506139

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine (CID 107165362) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine is CCC1CN(CC2(C)CCN(C)CC2)C(C)CN1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine?
The InChIKey is TVVKMBNGQOGIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-14-11-18(13(2)10-16-14)12-15(3)6-8-17(4)9-7-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylpiperazine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 3 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]-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 107165362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).