1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone

C18H27NO2 — CID 103714072

IUPAC1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCC(C(C)C)CC1
InChIInChI=1S/C18H27NO2/c1-13(2)15-7-9-19(10-8-15)12-17-11-16(14(3)20)5-6-18(17)21-4/h5-6,11,13,15H,7-10,12H2,1-4H3
InChIKeyKENBPGCJZFNMNH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.77
Rot. Bonds5

About 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone

1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone (PubChem CID 103714072) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
PubChem CID103714072
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCC(C(C)C)CC1
InChIInChI=1S/C18H27NO2/c1-13(2)15-7-9-19(10-8-15)12-17-11-16(14(3)20)5-6-18(17)21-4/h5-6,11,13,15H,7-10,12H2,1-4H3
InChIKeyKENBPGCJZFNMNH-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 9257709
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-methoxybenzenecarbothioamide
CID 106836011
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
1-[3-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8691222
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone (CID 103714072) is 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1CN1CCC(C(C)C)CC1.
What is the InChIKey of 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone?
The InChIKey is KENBPGCJZFNMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)15-7-9-19(10-8-15)12-17-11-16(14(3)20)5-6-18(17)21-4/h5-6,11,13,15H,7-10,12H2,1-4H3.
What are the key properties of 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone?
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 103714072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).