1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine

C27H52N6 — CID 91261385

IUPAC1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine
SMILESCC(C)N1CCCCC1C1(N2CCN(C3CCN(C)CC3)CC2)CCCN1C1CCCN1C
InChIInChI=1S/C27H52N6/c1-23(2)32-15-6-5-9-25(32)27(13-8-16-33(27)26-10-7-14-29(26)4)31-21-19-30(20-22-31)24-11-17-28(3)18-12-24/h23-26H,5-22H2,1-4H3
InChIKeyFFKZUUXRZICKLK-UHFFFAOYSA-N
MW460.76 g/mol
LogP2.80
Rot. Bonds5

About 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine

1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine (PubChem CID 91261385) has the molecular formula C27H52N6 and a molecular weight of 460.76 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine
PubChem CID91261385
Molecular FormulaC27H52N6
Molecular Weight460.76 g/mol
Exact Mass460.43
IUPAC Name1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine
SMILESCC(C)N1CCCCC1C1(N2CCN(C3CCN(C)CC3)CC2)CCCN1C1CCCN1C
InChIInChI=1S/C27H52N6/c1-23(2)32-15-6-5-9-25(32)27(13-8-16-33(27)26-10-7-14-29(26)4)31-21-19-30(20-22-31)24-11-17-28(3)18-12-24/h23-26H,5-22H2,1-4H3
InChIKeyFFKZUUXRZICKLK-UHFFFAOYSA-N
XLogP2.80
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.76
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8,8'-Spirobi[7,9-diazatricyclo[7.4.0.02,7]tridecane]
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2-Methyl-1-[3-[3-[3-(2-methylpyrrolidin-1-yl)propyl]imidazolidin-1-yl]propyl]piperidine
CID 69466136
4-[3-[2-(1-Methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine
CID 69467597
2-methyl-1-[2-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]ethyl]piperidine
CID 69467899
(2R)-2-methyl-1-[3-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidin-1-yl]propyl]piperidine
CID 69468344
2-[2-(4-Methylpiperazin-1-yl)ethyl]-5-[2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 123807053
2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane;(2R,5S)-1,2,4,5-tetramethylpiperazine
CID 144213750
1,3-Dimethyl-1,3-diazinane;1,4-dimethylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 158849338
6-[2-(5-Methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]-2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 169895609
2-Methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 170265945
2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
CID 176841308

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine (CID 91261385) is 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine is CC(C)N1CCCCC1C1(N2CCN(C3CCN(C)CC3)CC2)CCCN1C1CCCN1C.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine?
The InChIKey is FFKZUUXRZICKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N6/c1-23(2)32-15-6-5-9-25(32)27(13-8-16-33(27)26-10-7-14-29(26)4)31-21-19-30(20-22-31)24-11-17-28(3)18-12-24/h23-26H,5-22H2,1-4H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine?
1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine has a molecular weight of 460.76 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-[1-(1-methylpyrrolidin-2-yl)-2-(1-propan-2-ylpiperidin-2-yl)pyrrolidin-2-yl]piperazine is sourced from PubChem (CID 91261385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).