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

C24H43N5 — CID 171069831

IUPACethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC.CN1CCC(CN2CCN(CC3CCN(c4ccccn4)CC3)CC2)CC1
InChIInChI=1S/C22H37N5.C2H6/c1-24-10-5-20(6-11-24)18-25-14-16-26(17-15-25)19-21-7-12-27(13-8-21)22-4-2-3-9-23-22;1-2/h2-4,9,20-21H,5-8,10-19H2,1H3;1-2H3
InChIKeyOBPSUDBGDYGMDY-UHFFFAOYSA-N
MW401.64 g/mol
LogP3.28
Rot. Bonds5

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

ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 171069831) has the molecular formula C24H43N5 and a molecular weight of 401.64 g/mol. Its IUPAC name is ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Nameethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID171069831
Molecular FormulaC24H43N5
Molecular Weight401.64 g/mol
Exact Mass401.35
IUPAC Nameethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC.CN1CCC(CN2CCN(CC3CCN(c4ccccn4)CC3)CC2)CC1
InChIInChI=1S/C22H37N5.C2H6/c1-24-10-5-20(6-11-24)18-25-14-16-26(17-15-25)19-21-7-12-27(13-8-21)22-4-2-3-9-23-22;1-2/h2-4,9,20-21H,5-8,10-19H2,1H3;1-2H3
InChIKeyOBPSUDBGDYGMDY-UHFFFAOYSA-N
XLogP3.28
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane
CID 166113013
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
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
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine (CID 171069831) is ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine is CC.CN1CCC(CN2CCN(CC3CCN(c4ccccn4)CC3)CC2)CC1.
What is the InChIKey of ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is OBPSUDBGDYGMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5.C2H6/c1-24-10-5-20(6-11-24)18-25-14-16-26(17-15-25)19-21-7-12-27(13-8-21)22-4-2-3-9-23-22;1-2/h2-4,9,20-21H,5-8,10-19H2,1H3;1-2H3.
What are the key properties of ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine?
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 401.64 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 171069831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).