4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one

C26H35NO2 — CID 18626374

IUPAC4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one
SMILESCCCCC1CCN(CCCC(=O)c2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C26H35NO2/c1-2-3-10-22-16-19-27(20-17-22)18-9-14-25(28)24-13-7-8-15-26(24)29-21-23-11-5-4-6-12-23/h4-8,11-13,15,22H,2-3,9-10,14,16-21H2,1H3
InChIKeyHQDNDPUCYICAHZ-UHFFFAOYSA-N
MW393.57 g/mol
LogP6.13
Rot. Bonds11

About 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one

4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one (PubChem CID 18626374) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one
PubChem CID18626374
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one
SMILESCCCCC1CCN(CCCC(=O)c2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C26H35NO2/c1-2-3-10-22-16-19-27(20-17-22)18-9-14-25(28)24-13-7-8-15-26(24)29-21-23-11-5-4-6-12-23/h4-8,11-13,15,22H,2-3,9-10,14,16-21H2,1H3
InChIKeyHQDNDPUCYICAHZ-UHFFFAOYSA-N
XLogP6.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butylpiperidin-1-yl)-1-(2-ethylphenyl)butan-1-one
CID 18626360
4-(4-butylpiperidin-1-yl)-1-(2-chlorophenyl)butan-1-one
CID 57005847
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
CID 114971124
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-phenylmethoxybenzimidazol-1-yl]propyl]piperidin-1-yl]butanoic acid
CID 21188810
1-[2,4-bis(phenylmethoxy)phenyl]octan-1-one
CID 141320093
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 2961785
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
1-[2-[(2R)-3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 73351214
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one?
The IUPAC name of 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one (CID 18626374) is 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one.
What is the SMILES notation for 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one?
The canonical SMILES for 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one is CCCCC1CCN(CCCC(=O)c2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one?
The InChIKey is HQDNDPUCYICAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-2-3-10-22-16-19-27(20-17-22)18-9-14-25(28)24-13-7-8-15-26(24)29-21-23-11-5-4-6-12-23/h4-8,11-13,15,22H,2-3,9-10,14,16-21H2,1H3.
What are the key properties of 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one?
4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one has a molecular weight of 393.57 g/mol, XLogP of 6.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one is sourced from PubChem (CID 18626374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).