ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine

C22H44N4 — CID 171070111

IUPACethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC.CC.CC.CN1CCN(CC2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C16H26N4.3C2H6/c1-18-10-12-19(13-11-18)14-15-5-8-20(9-6-15)16-4-2-3-7-17-16;3*1-2/h2-4,7,15H,5-6,8-14H2,1H3;3*1-2H3
InChIKeyQAGLYLSYMMQVAC-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.62
Rot. Bonds3

About ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine

ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 171070111) has the molecular formula C22H44N4 and a molecular weight of 364.62 g/mol. Its IUPAC name is ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID171070111
Molecular FormulaC22H44N4
Molecular Weight364.62 g/mol
Exact Mass364.36
IUPAC Nameethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC.CC.CC.CN1CCN(CC2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C16H26N4.3C2H6/c1-18-10-12-19(13-11-18)14-15-5-8-20(9-6-15)16-4-2-3-7-17-16;3*1-2/h2-4,7,15H,5-6,8-14H2,1H3;3*1-2H3
InChIKeyQAGLYLSYMMQVAC-UHFFFAOYSA-N
XLogP4.62
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945
tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane
CID 166113013
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine
CID 142637683
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine (CID 171070111) is ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine is CC.CC.CC.CN1CCN(CC2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is QAGLYLSYMMQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.3C2H6/c1-18-10-12-19(13-11-18)14-15-5-8-20(9-6-15)16-4-2-3-7-17-16;3*1-2/h2-4,7,15H,5-6,8-14H2,1H3;3*1-2H3.
What are the key properties of ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine?
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 364.62 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 171070111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).