1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one

C16H23NO2 — CID 96665912

IUPAC1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one
SMILESCOc1ccc(CCCN2CCC(=O)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-13-12-14(5-6-16(13)19-2)4-3-9-17-10-7-15(18)8-11-17/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyVMRLTUVZMGWLKF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds5

About 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one

1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one (PubChem CID 96665912) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one
PubChem CID96665912
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one
SMILESCOc1ccc(CCCN2CCC(=O)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-13-12-14(5-6-16(13)19-2)4-3-9-17-10-7-15(18)8-11-17/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyVMRLTUVZMGWLKF-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 112518246
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one?
The IUPAC name of 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one (CID 96665912) is 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one?
The canonical SMILES for 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one is COc1ccc(CCCN2CCC(=O)CC2)cc1C.
What is the InChIKey of 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one?
The InChIKey is VMRLTUVZMGWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-12-14(5-6-16(13)19-2)4-3-9-17-10-7-15(18)8-11-17/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one?
1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one has a molecular weight of 261.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxy-3-methylphenyl)propyl]piperidin-4-one is sourced from PubChem (CID 96665912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).