4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine

C15H25N3+2 — CID 7026293

IUPAC4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine
SMILESc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccn1
InChIInChI=1S/C15H23N3/c1-2-10-18(9-1)15-5-11-17(12-6-15)13-14-3-7-16-8-4-14/h3-4,7-8,15H,1-2,5-6,9-13H2/p+2
InChIKeyXQUUCFFKVKGRIV-UHFFFAOYSA-P
MW247.39 g/mol
LogP-0.69
Rot. Bonds3

About 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine

4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine (PubChem CID 7026293) has the molecular formula C15H25N3+2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine
PubChem CID7026293
Molecular FormulaC15H25N3+2
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine
SMILESc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccn1
InChIInChI=1S/C15H23N3/c1-2-10-18(9-1)15-5-11-17(12-6-15)13-14-3-7-16-8-4-14/h3-4,7-8,15H,1-2,5-6,9-13H2/p+2
InChIKeyXQUUCFFKVKGRIV-UHFFFAOYSA-P
XLogP-0.69
TPSA21.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]morpholin-4-ium
CID 6945711
1-benzyl-4-cyclopentylpiperazine-1,4-diium
CID 7108959
1-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium
CID 7471844
1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 6982157
1-[(2-bromophenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 6937910
[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanol
CID 7047277
1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 7120136
2-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 3526276
1-[(4-nitrophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium
CID 4745770
(2R,6R)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
CID 7354743
(2S,6S)-2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
CID 7354744
1-cycloheptyl-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium
CID 4745774

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine?
The IUPAC name of 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine (CID 7026293) is 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine is c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccn1.
What is the InChIKey of 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine?
The InChIKey is XQUUCFFKVKGRIV-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H23N3/c1-2-10-18(9-1)15-5-11-17(12-6-15)13-14-3-7-16-8-4-14/h3-4,7-8,15H,1-2,5-6,9-13H2/p+2.
What are the key properties of 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine?
4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine has a molecular weight of 247.39 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]pyridine is sourced from PubChem (CID 7026293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).