3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine

C13H27N3 — CID 64951925

IUPAC3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCCC1CN(CC2CCN(C)CC2)CCN1
InChIInChI=1S/C13H27N3/c1-3-13-11-16(9-6-14-13)10-12-4-7-15(2)8-5-12/h12-14H,3-11H2,1-2H3
InChIKeyHATFZYIMYYVRLP-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds3

About 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine

3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 64951925) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID64951925
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCCC1CN(CC2CCN(C)CC2)CCN1
InChIInChI=1S/C13H27N3/c1-3-13-11-16(9-6-14-13)10-12-4-7-15(2)8-5-12/h12-14H,3-11H2,1-2H3
InChIKeyHATFZYIMYYVRLP-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
CID 64952931
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
CID 114225345
1-(2-bromoethyl)-3-ethylpiperazine
CID 173202340
3-ethyl-1-pentylpiperazine
CID 64832988
4-ethyl-3-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 165137857
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
3-ethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901348
3-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-1,4-diazepane
CID 64948735
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 64951925) is 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine is CCC1CN(CC2CCN(C)CC2)CCN1.
What is the InChIKey of 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is HATFZYIMYYVRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-13-11-16(9-6-14-13)10-12-4-7-15(2)8-5-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine?
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 64951925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).