[(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone

C16H29NO2 — CID 156796997

IUPAC[(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone
SMILESC[C@@H]1CCCC(C(=O)C2(C)CCNCC2)C[C@H](C)O1
InChIInChI=1S/C16H29NO2/c1-12-5-4-6-14(11-13(2)19-12)15(18)16(3)7-9-17-10-8-16/h12-14,17H,4-11H2,1-3H3/t12-,13+,14?/m1/s1
InChIKeyALRRBTYGJOXTNX-AMIUJLCOSA-N
MW267.41 g/mol
LogP2.93
Rot. Bonds2

About [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone

[(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone (PubChem CID 156796997) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone
PubChem CID156796997
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone
SMILESC[C@@H]1CCCC(C(=O)C2(C)CCNCC2)C[C@H](C)O1
InChIInChI=1S/C16H29NO2/c1-12-5-4-6-14(11-13(2)19-12)15(18)16(3)7-9-17-10-8-16/h12-14,17H,4-11H2,1-3H3/t12-,13+,14?/m1/s1
InChIKeyALRRBTYGJOXTNX-AMIUJLCOSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone (CID 156796997) is [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone is C[C@@H]1CCCC(C(=O)C2(C)CCNCC2)C[C@H](C)O1.
What is the InChIKey of [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone?
The InChIKey is ALRRBTYGJOXTNX-AMIUJLCOSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-5-4-6-14(11-13(2)19-12)15(18)16(3)7-9-17-10-8-16/h12-14,17H,4-11H2,1-3H3/t12-,13+,14?/m1/s1.
What are the key properties of [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone?
[(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone has a molecular weight of 267.41 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 156796997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).