4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine

C33H49NO — CID 146337287

IUPAC4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine
SMILESCCc1ccc(CCCC(C)(C)C)c(N2CCC(COc3cccc(C(CC)C4CC4)c3)CC2)c1
InChIInChI=1S/C33H49NO/c1-6-25-13-14-28(11-9-19-33(3,4)5)32(22-25)34-20-17-26(18-21-34)24-35-30-12-8-10-29(23-30)31(7-2)27-15-16-27/h8,10,12-14,22-23,26-27,31H,6-7,9,11,15-21,24H2,1-5H3
InChIKeyIBONGWSZQJZJBX-UHFFFAOYSA-N
MW475.76 g/mol
LogP8.82
Rot. Bonds11

About 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine

4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine (PubChem CID 146337287) has the molecular formula C33H49NO and a molecular weight of 475.76 g/mol. Its IUPAC name is 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine.

Molecular Properties

Compound Name4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine
PubChem CID146337287
Molecular FormulaC33H49NO
Molecular Weight475.76 g/mol
Exact Mass475.38
IUPAC Name4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine
SMILESCCc1ccc(CCCC(C)(C)C)c(N2CCC(COc3cccc(C(CC)C4CC4)c3)CC2)c1
InChIInChI=1S/C33H49NO/c1-6-25-13-14-28(11-9-19-33(3,4)5)32(22-25)34-20-17-26(18-21-34)24-35-30-12-8-10-29(23-30)31(7-2)27-15-16-27/h8,10,12-14,22-23,26-27,31H,6-7,9,11,15-21,24H2,1-5H3
InChIKeyIBONGWSZQJZJBX-UHFFFAOYSA-N
XLogP8.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.76
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-4-[3-[[1-[2-(4,4-dimethylpentyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]butan-2-one
CID 146337345
2-[3-[[1-[2-(4,4-dimethylpentyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propyl-methylphosphinic acid
CID 174224512
1-[2-(4,4-dimethylpentyl)-5-methoxyphenyl]-4-[[3-[(2R)-1-[ethoxy(propoxy)phosphoryl]propan-2-yl]phenoxy]methyl]piperidine
CID 167176199
2-[3-[[1-[2-(4,4-dimethylpentyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]ethyl-methoxy-methylphosphane
CID 177155328
3-cyclopropyl-3-[3-[[1-[2-(5,5-dimethylhexanoyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
CID 158014985
3-[3-[[1-[2-[(3-chlorophenyl)-(2,2-dimethylpropyl)carbamoyl]-5-ethylphenyl]piperidin-4-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 121294522
3-cyclopropyl-3-[3-[[1-[2-[2,2-dimethylpropyl-(4-methyl-2-pyridinyl)carbamoyl]-5-ethylphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
CID 121294361
ethyl 3-cyclopropyl-3-[3-[[1-[5-ethyl-2-(1,3-oxazol-2-ylcarbamoyl)phenyl]piperidin-4-yl]methoxy]phenyl]propanoate
CID 121294638
3-cyclopropyl-3-[3-[[1-[2-(5-hydroxy-4,4-dimethylpentanoyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
CID 147282318
3-[3-[[1-[2-(2-cyanopropan-2-yl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 146314437
3-cyclopropyl-3-[3-[[1-[5-methoxy-2-(1,1,1-trifluoro-2-methoxypropan-2-yl)phenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
CID 146314590
3-cyclopropyl-3-[3-[[1-[5-methoxy-2-[[2,2,3,3,3-pentafluoropropyl(propan-2-yl)amino]methyl]phenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
CID 146314262

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine?
The IUPAC name of 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine (CID 146337287) is 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine.
What is the SMILES notation for 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine?
The canonical SMILES for 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine is CCc1ccc(CCCC(C)(C)C)c(N2CCC(COc3cccc(C(CC)C4CC4)c3)CC2)c1.
What is the InChIKey of 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine?
The InChIKey is IBONGWSZQJZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49NO/c1-6-25-13-14-28(11-9-19-33(3,4)5)32(22-25)34-20-17-26(18-21-34)24-35-30-12-8-10-29(23-30)31(7-2)27-15-16-27/h8,10,12-14,22-23,26-27,31H,6-7,9,11,15-21,24H2,1-5H3.
What are the key properties of 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine?
4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine has a molecular weight of 475.76 g/mol, XLogP of 8.82, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-cyclopropylpropyl)phenoxy]methyl]-1-[2-(4,4-dimethylpentyl)-5-ethylphenyl]piperidine is sourced from PubChem (CID 146337287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).