7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one

C19H25NO — CID 101173310

IUPAC7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
SMILESO=C1C=C2C=C3C=C(N4CCCCC4)CCC3CC2CC1
InChIInChI=1S/C19H25NO/c21-19-7-5-15-10-14-4-6-18(20-8-2-1-3-9-20)12-16(14)11-17(15)13-19/h11-15H,1-10H2
InChIKeyVPRVMYUJRFZUEK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.00
Rot. Bonds1

About 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one

7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one (PubChem CID 101173310) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one.

Molecular Properties

Compound Name7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
PubChem CID101173310
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
SMILESO=C1C=C2C=C3C=C(N4CCCCC4)CCC3CC2CC1
InChIInChI=1S/C19H25NO/c21-19-7-5-15-10-14-4-6-18(20-8-2-1-3-9-20)12-16(14)11-17(15)13-19/h11-15H,1-10H2
InChIKeyVPRVMYUJRFZUEK-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one?
The IUPAC name of 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one (CID 101173310) is 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one.
What is the SMILES notation for 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one?
The canonical SMILES for 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one is O=C1C=C2C=C3C=C(N4CCCCC4)CCC3CC2CC1.
What is the InChIKey of 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one?
The InChIKey is VPRVMYUJRFZUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-19-7-5-15-10-14-4-6-18(20-8-2-1-3-9-20)12-16(14)11-17(15)13-19/h11-15H,1-10H2.
What are the key properties of 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one?
7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one has a molecular weight of 283.42 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-yl-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one is sourced from PubChem (CID 101173310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).