ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C18H37N3 — CID 155702516

IUPACethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CC(C)N1CC2CC1CN2CCCC1CCNCC1
InChIInChI=1S/C16H31N3.C2H6/c1-13(2)19-12-15-10-16(19)11-18(15)9-3-4-14-5-7-17-8-6-14;1-2/h13-17H,3-12H2,1-2H3;1-2H3
InChIKeyQXRDHSJLLGTKLY-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.96
Rot. Bonds5

About ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 155702516) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID155702516
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Nameethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CC(C)N1CC2CC1CN2CCCC1CCNCC1
InChIInChI=1S/C16H31N3.C2H6/c1-13(2)19-12-15-10-16(19)11-18(15)9-3-4-14-5-7-17-8-6-14;1-2/h13-17H,3-12H2,1-2H3;1-2H3
InChIKeyQXRDHSJLLGTKLY-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 155702516) is ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC.CC(C)N1CC2CC1CN2CCCC1CCNCC1.
What is the InChIKey of ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is QXRDHSJLLGTKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3.C2H6/c1-13(2)19-12-15-10-16(19)11-18(15)9-3-4-14-5-7-17-8-6-14;1-2/h13-17H,3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 295.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-piperidin-4-ylpropyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 155702516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).