4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine

C28H53N3 — CID 171748518

IUPAC4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
SMILESCC(C)CC1(CN2CCC(C)(CN3CCC(C4CCN(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H53N3/c1-23(2)20-28(10-11-28)22-30-18-12-27(5,13-19-30)21-29-14-6-25(7-15-29)26-8-16-31(17-9-26)24(3)4/h23-26H,6-22H2,1-5H3
InChIKeyXZPGQIZYAYTJEB-UHFFFAOYSA-N
MW431.75 g/mol
LogP5.75
Rot. Bonds8

About 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine

4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine (PubChem CID 171748518) has the molecular formula C28H53N3 and a molecular weight of 431.75 g/mol. Its IUPAC name is 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
PubChem CID171748518
Molecular FormulaC28H53N3
Molecular Weight431.75 g/mol
Exact Mass431.42
IUPAC Name4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
SMILESCC(C)CC1(CN2CCC(C)(CN3CCC(C4CCN(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H53N3/c1-23(2)20-28(10-11-28)22-30-18-12-27(5,13-19-30)21-29-14-6-25(7-15-29)26-8-16-31(17-9-26)24(3)4/h23-26H,6-22H2,1-5H3
InChIKeyXZPGQIZYAYTJEB-UHFFFAOYSA-N
XLogP5.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine with MolForge

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Related Compounds

6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171748237
7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 177083654
3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 171748388
9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171748190
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171748359
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
1-[[1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 171748431
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine (CID 171748518) is 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine is CC(C)CC1(CN2CCC(C)(CN3CCC(C4CCN(C(C)C)CC4)CC3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine?
The InChIKey is XZPGQIZYAYTJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53N3/c1-23(2)20-28(10-11-28)22-30-18-12-27(5,13-19-30)21-29-14-6-25(7-15-29)26-8-16-31(17-9-26)24(3)4/h23-26H,6-22H2,1-5H3.
What are the key properties of 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine?
4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine has a molecular weight of 431.75 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 171748518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).