(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one

C16H25NO — CID 3056028

IUPAC(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one
SMILESO=C1C(CN2CCCCC2)[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]12
InChIInChI=1S/C16H25NO/c18-16-14-9-13(11-5-4-6-12(11)14)15(16)10-17-7-2-1-3-8-17/h11-15H,1-10H2/t11-,12+,13-,14+,15?/m0/s1
InChIKeyJLCMDFNLXWGPNY-DRWKLNATSA-N
MW247.38 g/mol
LogP2.72
Rot. Bonds2

About (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one

(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one (PubChem CID 3056028) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one.

Molecular Properties

Compound Name(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one
PubChem CID3056028
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one
SMILESO=C1C(CN2CCCCC2)[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]12
InChIInChI=1S/C16H25NO/c18-16-14-9-13(11-5-4-6-12(11)14)15(16)10-17-7-2-1-3-8-17/h11-15H,1-10H2/t11-,12+,13-,14+,15?/m0/s1
InChIKeyJLCMDFNLXWGPNY-DRWKLNATSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one?
The IUPAC name of (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one (CID 3056028) is (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one.
What is the SMILES notation for (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one?
The canonical SMILES for (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one is O=C1C(CN2CCCCC2)[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]12.
What is the InChIKey of (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one?
The InChIKey is JLCMDFNLXWGPNY-DRWKLNATSA-N. The full InChI is InChI=1S/C16H25NO/c18-16-14-9-13(11-5-4-6-12(11)14)15(16)10-17-7-2-1-3-8-17/h11-15H,1-10H2/t11-,12+,13-,14+,15?/m0/s1.
What are the key properties of (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one?
(1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one has a molecular weight of 247.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-9-(piperidin-1-ylmethyl)tricyclo[5.2.1.02,6]decan-8-one is sourced from PubChem (CID 3056028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).