1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one

C19H29NO2 — CID 19191324

IUPAC1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
SMILESCCCc1ccc(OCCCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H29NO2/c1-3-5-17-7-9-18(10-8-17)22-15-4-6-19(21)20-13-11-16(2)12-14-20/h7-10,16H,3-6,11-15H2,1-2H3
InChIKeyXXXJJCBUDFWBCE-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.06
Rot. Bonds7

About 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one

1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one (PubChem CID 19191324) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
PubChem CID19191324
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
SMILESCCCc1ccc(OCCCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H29NO2/c1-3-5-17-7-9-18(10-8-17)22-15-4-6-19(21)20-13-11-16(2)12-14-20/h7-10,16H,3-6,11-15H2,1-2H3
InChIKeyXXXJJCBUDFWBCE-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119373343
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284266
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone
CID 54823733
3-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546674
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536250

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one (CID 19191324) is 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one is CCCc1ccc(OCCCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one?
The InChIKey is XXXJJCBUDFWBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-5-17-7-9-18(10-8-17)22-15-4-6-19(21)20-13-11-16(2)12-14-20/h7-10,16H,3-6,11-15H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one?
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one has a molecular weight of 303.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one is sourced from PubChem (CID 19191324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).