1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine

C21H40N4 — CID 142123454

IUPAC1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine
SMILESCN1CCC(N2CCCCC2)C(C2CN(C)CCC2N2CCCC2)C1
InChIInChI=1S/C21H40N4/c1-22-14-8-20(24-10-4-3-5-11-24)18(16-22)19-17-23(2)15-9-21(19)25-12-6-7-13-25/h18-21H,3-17H2,1-2H3
InChIKeyZIDMOFDHQBKLMS-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.21
Rot. Bonds3

About 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine

1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine (PubChem CID 142123454) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine
PubChem CID142123454
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine
SMILESCN1CCC(N2CCCCC2)C(C2CN(C)CCC2N2CCCC2)C1
InChIInChI=1S/C21H40N4/c1-22-14-8-20(24-10-4-3-5-11-24)18(16-22)19-17-23(2)15-9-21(19)25-12-6-7-13-25/h18-21H,3-17H2,1-2H3
InChIKeyZIDMOFDHQBKLMS-UHFFFAOYSA-N
XLogP2.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Quinuclidine, 3-(1-methyl-2-pyrrolidinyl)-
CID 208203
Ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium
CID 154671214
N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 57105686
N-[1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680691
2-(1-Ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 91321858
10-(2,8-Dimethyl-2,8-diazaspiro[4.5]decan-4-yl)-9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 91538992
4-[1,3-Bis[1-hexyl-2,6-di(propan-2-yl)piperidin-4-yl]propyl]-1-hexyl-2,6-di(propan-2-yl)piperidine
CID 121244691
3-Ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
CID 126748039
1-Methyl-4-[3-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]propyl]piperidine
CID 129292851
1-Methyl-4-[1-(3-methyl-4-piperidin-1-ylbutan-2-yl)piperidin-4-yl]piperidine
CID 129292853
8-Propan-2-yl-3-[5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 132192973
9-Propan-2-yl-3-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-9-azabicyclo[3.3.1]nonane
CID 134444573

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine (CID 142123454) is 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine is CN1CCC(N2CCCCC2)C(C2CN(C)CCC2N2CCCC2)C1.
What is the InChIKey of 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine?
The InChIKey is ZIDMOFDHQBKLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-22-14-8-20(24-10-4-3-5-11-24)18(16-22)19-17-23(2)15-9-21(19)25-12-6-7-13-25/h18-21H,3-17H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine?
1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine has a molecular weight of 348.58 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 142123454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).