1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine

C22H42N4 — CID 123853107

IUPAC1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine
SMILESC1CCN(CC(C(CN2CCCC2)N2CCCC2)N2CCCCC2)CC1
InChIInChI=1S/C22H42N4/c1-3-11-23(12-4-1)19-21(25-15-5-2-6-16-25)22(26-17-9-10-18-26)20-24-13-7-8-14-24/h21-22H,1-20H2
InChIKeyKGVGBDDSGRCFOD-UHFFFAOYSA-N
MW362.61 g/mol
LogP2.89
Rot. Bonds7

About 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine

1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine (PubChem CID 123853107) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine.

Molecular Properties

Compound Name1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine
PubChem CID123853107
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine
SMILESC1CCN(CC(C(CN2CCCC2)N2CCCC2)N2CCCCC2)CC1
InChIInChI=1S/C22H42N4/c1-3-11-23(12-4-1)19-21(25-15-5-2-6-16-25)22(26-17-9-10-18-26)20-24-13-7-8-14-24/h21-22H,1-20H2
InChIKeyKGVGBDDSGRCFOD-UHFFFAOYSA-N
XLogP2.89
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(8-Aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide
CID 10367963
8-[6-(8-Aza-5-azoniaspiro[4.5]decan-8-yl)hexyl]-8-aza-5-azoniaspiro[4.5]decane dibromide
CID 44293635
8-[3-(8-Aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane
CID 10367964
8-[6-(8-Aza-5-azoniaspiro[4.5]decan-8-yl)hexyl]-8-aza-5-azoniaspiro[4.5]decane
CID 44293636
8-[8-(8-Aza-5-azoniaspiro[4.5]decan-8-yl)octyl]-8-aza-5-azoniaspiro[4.5]decane
CID 44293638
8-[10-(8-Aza-5-azoniaspiro[4.5]decan-8-yl)decyl]-8-aza-5-azoniaspiro[4.5]decane
CID 44293640
1,4-bis[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperazine
CID 57823209
2-Methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 59229858
CID 69764941
CID 69764941
2-(1-Ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 70996973
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
N-methyl-1-propan-2-yl-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]pyrrolidin-3-amine
CID 130427055

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine?
The IUPAC name of 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine (CID 123853107) is 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine.
What is the SMILES notation for 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine?
The canonical SMILES for 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine is C1CCN(CC(C(CN2CCCC2)N2CCCC2)N2CCCCC2)CC1.
What is the InChIKey of 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine?
The InChIKey is KGVGBDDSGRCFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4/c1-3-11-23(12-4-1)19-21(25-15-5-2-6-16-25)22(26-17-9-10-18-26)20-24-13-7-8-14-24/h21-22H,1-20H2.
What are the key properties of 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine?
1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine has a molecular weight of 362.61 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-yl-3,4-dipyrrolidin-1-ylbutan-2-yl)piperidine is sourced from PubChem (CID 123853107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).