3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one

C18H27NO2 — CID 3751885

IUPAC3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCCCC2)C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)17(15-7-9-16(21-3)10-8-15)13-18(20)19-11-5-4-6-12-19/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyVRRIARSSIAAHMT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one

3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one (PubChem CID 3751885) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one
PubChem CID3751885
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCCCC2)C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)17(15-7-9-16(21-3)10-8-15)13-18(20)19-11-5-4-6-12-19/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyVRRIARSSIAAHMT-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one (CID 3751885) is 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one is COc1ccc(C(CC(=O)N2CCCCC2)C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one?
The InChIKey is VRRIARSSIAAHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(2)17(15-7-9-16(21-3)10-8-15)13-18(20)19-11-5-4-6-12-19/h7-10,14,17H,4-6,11-13H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one?
3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-methyl-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 3751885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).