1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine

C14H29N3 — CID 120848946

IUPAC1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
SMILESCCN1CC(C)N(CC2CCCNC2)CC1C
InChIInChI=1S/C14H29N3/c1-4-16-9-13(3)17(10-12(16)2)11-14-6-5-7-15-8-14/h12-15H,4-11H2,1-3H3
InChIKeyXDKRHSCEZAEDFG-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

About 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine

1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine (PubChem CID 120848946) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
PubChem CID120848946
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
SMILESCCN1CC(C)N(CC2CCCNC2)CC1C
InChIInChI=1S/C14H29N3/c1-4-16-9-13(3)17(10-12(16)2)11-14-6-5-7-15-8-14/h12-15H,4-11H2,1-3H3
InChIKeyXDKRHSCEZAEDFG-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine
CID 120854687
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
3-methyl-4-(piperidin-3-ylmethyl)morpholine
CID 43542278
2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120857311
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 120849803
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194
6-[(2S,5R)-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 141242966

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine?
The IUPAC name of 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine (CID 120848946) is 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine?
The canonical SMILES for 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine is CCN1CC(C)N(CC2CCCNC2)CC1C.
What is the InChIKey of 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine?
The InChIKey is XDKRHSCEZAEDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-16-9-13(3)17(10-12(16)2)11-14-6-5-7-15-8-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine?
1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine is sourced from PubChem (CID 120848946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).