ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine

C15H35N3 — CID 144911273

IUPACethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
SMILESCC.CC.CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C11H23N3.2C2H6/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyALPBGAOIAXYZLF-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.38
Rot. Bonds1

About ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine

ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 144911273) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID144911273
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Nameethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
SMILESCC.CC.CN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C11H23N3.2C2H6/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyALPBGAOIAXYZLF-UHFFFAOYSA-N
XLogP2.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine (CID 144911273) is ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine is CC.CC.CN1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is ALPBGAOIAXYZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3.2C2H6/c1-12-5-3-11(4-6-12)14-9-7-13(2)8-10-14;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine?
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 257.47 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 144911273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).