4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine

C27H38N2O — CID 10223051

IUPAC4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine
SMILESCC(C)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C27H38N2O/c1-22(2)29-18-14-27(15-19-29)30-26-10-8-25(9-11-26)21-28-16-12-24(13-17-28)20-23-6-4-3-5-7-23/h3-11,22,24,27H,12-21H2,1-2H3
InChIKeyHSPXTGVDUCGMMK-UHFFFAOYSA-N
MW406.61 g/mol
LogP5.39
Rot. Bonds7

About 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine

4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine (PubChem CID 10223051) has the molecular formula C27H38N2O and a molecular weight of 406.61 g/mol. Its IUPAC name is 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine
PubChem CID10223051
Molecular FormulaC27H38N2O
Molecular Weight406.61 g/mol
Exact Mass406.30
IUPAC Name4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine
SMILESCC(C)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C27H38N2O/c1-22(2)29-18-14-27(15-19-29)30-26-10-8-25(9-11-26)21-28-16-12-24(13-17-28)20-23-6-4-3-5-7-23/h3-11,22,24,27H,12-21H2,1-2H3
InChIKeyHSPXTGVDUCGMMK-UHFFFAOYSA-N
XLogP5.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine?
The IUPAC name of 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine (CID 10223051) is 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine is CC(C)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine?
The InChIKey is HSPXTGVDUCGMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O/c1-22(2)29-18-14-27(15-19-29)30-26-10-8-25(9-11-26)21-28-16-12-24(13-17-28)20-23-6-4-3-5-7-23/h3-11,22,24,27H,12-21H2,1-2H3.
What are the key properties of 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine?
4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine has a molecular weight of 406.61 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine is sourced from PubChem (CID 10223051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).