(2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone

C17H25NO2 — CID 6461705

IUPAC(2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C17H25NO2/c1-12(2)20-16-10-6-9-15(11-16)17(19)18-13(3)7-5-8-14(18)4/h6,9-14H,5,7-8H2,1-4H3
InChIKeyYXJHFAHDNYSVQA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.88
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone

(2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 6461705) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID6461705
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C17H25NO2/c1-12(2)20-16-10-6-9-15(11-16)17(19)18-13(3)7-5-8-14(18)4/h6,9-14H,5,7-8H2,1-4H3
InChIKeyYXJHFAHDNYSVQA-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone (CID 6461705) is (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)N2C(C)CCCC2C)c1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is YXJHFAHDNYSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)20-16-10-6-9-15(11-16)17(19)18-13(3)7-5-8-14(18)4/h6,9-14H,5,7-8H2,1-4H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
(2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 6461705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).