ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)

C38H88N6O2 — CID 156885188

IUPACethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)
SMILESCC.CC.CC.CC.CC.CCN1CCC(OCCN2CCN(C)CC2)CC1.CCN1CCC(OCCN2CCN(C)CC2)CC1
InChIInChI=1S/2C14H29N3O.5C2H6/c2*1-3-16-6-4-14(5-7-16)18-13-12-17-10-8-15(2)9-11-17;5*1-2/h2*14H,3-13H2,1-2H3;5*1-2H3
InChIKeyGGIIEQHBUPIYNA-UHFFFAOYSA-N
MW661.16 g/mol
LogP6.60
Rot. Bonds10

About ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)

ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine) (PubChem CID 156885188) has the molecular formula C38H88N6O2 and a molecular weight of 661.16 g/mol. Its IUPAC name is ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine).

Molecular Properties

Compound Nameethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)
PubChem CID156885188
Molecular FormulaC38H88N6O2
Molecular Weight661.16 g/mol
Exact Mass660.70
IUPAC Nameethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)
SMILESCC.CC.CC.CC.CC.CCN1CCC(OCCN2CCN(C)CC2)CC1.CCN1CCC(OCCN2CCN(C)CC2)CC1
InChIInChI=1S/2C14H29N3O.5C2H6/c2*1-3-16-6-4-14(5-7-16)18-13-12-17-10-8-15(2)9-11-17;5*1-2/h2*14H,3-13H2,1-2H3;5*1-2H3
InChIKeyGGIIEQHBUPIYNA-UHFFFAOYSA-N
XLogP6.60
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.16
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)?
The IUPAC name of ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine) (CID 156885188) is ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine).
What is the SMILES notation for ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)?
The canonical SMILES for ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine) is CC.CC.CC.CC.CC.CCN1CCC(OCCN2CCN(C)CC2)CC1.CCN1CCC(OCCN2CCN(C)CC2)CC1.
What is the InChIKey of ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)?
The InChIKey is GGIIEQHBUPIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H29N3O.5C2H6/c2*1-3-16-6-4-14(5-7-16)18-13-12-17-10-8-15(2)9-11-17;5*1-2/h2*14H,3-13H2,1-2H3;5*1-2H3.
What are the key properties of ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine)?
ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine) has a molecular weight of 661.16 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine) is sourced from PubChem (CID 156885188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).