3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine

C21H28N4 — CID 91916522

IUPAC3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESc1cncc(CN2CCC(C3CCN(Cc4cccnc4)C3)CC2)c1
InChIInChI=1S/C21H28N4/c1-3-18(13-22-8-1)15-24-10-5-20(6-11-24)21-7-12-25(17-21)16-19-4-2-9-23-14-19/h1-4,8-9,13-14,20-21H,5-7,10-12,15-17H2
InChIKeyBOTNQWURTUWDOI-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.21
Rot. Bonds5

About 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine

3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 91916522) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID91916522
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESc1cncc(CN2CCC(C3CCN(Cc4cccnc4)C3)CC2)c1
InChIInChI=1S/C21H28N4/c1-3-18(13-22-8-1)15-24-10-5-20(6-11-24)21-7-12-25(17-21)16-19-4-2-9-23-14-19/h1-4,8-9,13-14,20-21H,5-7,10-12,15-17H2
InChIKeyBOTNQWURTUWDOI-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
CID 42293192
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 45199332
3-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
CID 42458383
5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 25289570
4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 45220184
4-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 42394785
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
2-(1-methylpyrrol-3-yl)-1-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone
CID 45175882

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine (CID 91916522) is 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine is c1cncc(CN2CCC(C3CCN(Cc4cccnc4)C3)CC2)c1.
What is the InChIKey of 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is BOTNQWURTUWDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-3-18(13-22-8-1)15-24-10-5-20(6-11-24)21-7-12-25(17-21)16-19-4-2-9-23-14-19/h1-4,8-9,13-14,20-21H,5-7,10-12,15-17H2.
What are the key properties of 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine?
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 336.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 91916522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).