5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine

C21H27N3O — CID 138042107

IUPAC5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine
SMILESc1ccc(OC2CCN(Cc3ccc(N4CCCC4)nc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-2-6-19(7-3-1)25-20-10-14-23(15-11-20)17-18-8-9-21(22-16-18)24-12-4-5-13-24/h1-3,6-9,16,20H,4-5,10-15,17H2
InChIKeyYUJKBTGEZKYKBN-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.73
Rot. Bonds5

About 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine

5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine (PubChem CID 138042107) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine
PubChem CID138042107
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine
SMILESc1ccc(OC2CCN(Cc3ccc(N4CCCC4)nc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-2-6-19(7-3-1)25-20-10-14-23(15-11-20)17-18-8-9-21(22-16-18)24-12-4-5-13-24/h1-3,6-9,16,20H,4-5,10-15,17H2
InChIKeyYUJKBTGEZKYKBN-UHFFFAOYSA-N
XLogP3.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427565
3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 120781479
N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426059
1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
CID 174434003
1-benzyl-4-[5-(bromomethyl)-2-pyridinyl]piperazine
CID 107079127
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-benzylpiperidin-4-yl)-2-methylguanidine
CID 110985364
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine
CID 56901094
5-[[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyridine
CID 75496992
5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
CID 102541519
4-[5-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine
CID 24784906

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine (CID 138042107) is 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine is c1ccc(OC2CCN(Cc3ccc(N4CCCC4)nc3)CC2)cc1.
What is the InChIKey of 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine?
The InChIKey is YUJKBTGEZKYKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-6-19(7-3-1)25-20-10-14-23(15-11-20)17-18-8-9-21(22-16-18)24-12-4-5-13-24/h1-3,6-9,16,20H,4-5,10-15,17H2.
What are the key properties of 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine?
5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine has a molecular weight of 337.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 138042107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).