(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone

C20H29NO2 — CID 75537654

IUPAC(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CC(C)CC(C)C3)CCOCC2)cc1
InChIInChI=1S/C20H29NO2/c1-15-4-6-18(7-5-15)20(8-10-23-11-9-20)19(22)21-13-16(2)12-17(3)14-21/h4-7,16-17H,8-14H2,1-3H3
InChIKeyADKJAAWBQNUIPV-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.55
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone (PubChem CID 75537654) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
PubChem CID75537654
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CC(C)CC(C)C3)CCOCC2)cc1
InChIInChI=1S/C20H29NO2/c1-15-4-6-18(7-5-15)20(8-10-23-11-9-20)19(22)21-13-16(2)12-17(3)14-21/h4-7,16-17H,8-14H2,1-3H3
InChIKeyADKJAAWBQNUIPV-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone (CID 75537654) is (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone is Cc1ccc(C2(C(=O)N3CC(C)CC(C)C3)CCOCC2)cc1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone?
The InChIKey is ADKJAAWBQNUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-15-4-6-18(7-5-15)20(8-10-23-11-9-20)19(22)21-13-16(2)12-17(3)14-21/h4-7,16-17H,8-14H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone is sourced from PubChem (CID 75537654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).