2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine

C16H26N4O — CID 82688762

IUPAC2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(c2ncnc3c2CCCCC3)CC1
InChIInChI=1S/C16H26N4O/c17-8-11-21-13-6-9-20(10-7-13)16-14-4-2-1-3-5-15(14)18-12-19-16/h12-13H,1-11,17H2
InChIKeyRMRFQRMEORHGNH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.69
Rot. Bonds4

About 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine

2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine (PubChem CID 82688762) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
PubChem CID82688762
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(c2ncnc3c2CCCCC3)CC1
InChIInChI=1S/C16H26N4O/c17-8-11-21-13-6-9-20(10-7-13)16-14-4-2-1-3-5-15(14)18-12-19-16/h12-13H,1-11,17H2
InChIKeyRMRFQRMEORHGNH-UHFFFAOYSA-N
XLogP1.69
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine (CID 82688762) is 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine is NCCOC1CCN(c2ncnc3c2CCCCC3)CC1.
What is the InChIKey of 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine?
The InChIKey is RMRFQRMEORHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-8-11-21-13-6-9-20(10-7-13)16-14-4-2-1-3-5-15(14)18-12-19-16/h12-13H,1-11,17H2.
What are the key properties of 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine?
2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine has a molecular weight of 290.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82688762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).