2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C16H31N3 — CID 155184450

IUPAC2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1CCC(CN2CC3CC2CN3C(C)C)CC1
InChIInChI=1S/C16H31N3/c1-4-17-7-5-14(6-8-17)10-18-11-16-9-15(18)12-19(16)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyJEZUHRLMGCMSKR-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.89
Rot. Bonds4

About 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 155184450) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID155184450
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1CCC(CN2CC3CC2CN3C(C)C)CC1
InChIInChI=1S/C16H31N3/c1-4-17-7-5-14(6-8-17)10-18-11-16-9-15(18)12-19(16)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyJEZUHRLMGCMSKR-UHFFFAOYSA-N
XLogP1.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 155184450) is 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CCN1CCC(CN2CC3CC2CN3C(C)C)CC1.
What is the InChIKey of 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is JEZUHRLMGCMSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-17-7-5-14(6-8-17)10-18-11-16-9-15(18)12-19(16)13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 265.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-4-yl)methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 155184450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).