5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

C20H27N5O — CID 56906695

IUPAC5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(COC2CCCN(Cc3cnc(N4CCCC4)nc3)C2)nc1
InChIInChI=1S/C20H27N5O/c1-2-8-21-18(6-1)16-26-19-7-5-9-24(15-19)14-17-12-22-20(23-13-17)25-10-3-4-11-25/h1-2,6,8,12-13,19H,3-5,7,9-11,14-16H2
InChIKeyWKIAQDXQYPJWJG-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.65
Rot. Bonds6

About 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 56906695) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID56906695
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(COC2CCCN(Cc3cnc(N4CCCC4)nc3)C2)nc1
InChIInChI=1S/C20H27N5O/c1-2-8-21-18(6-1)16-26-19-7-5-9-24(15-19)14-17-12-22-20(23-13-17)25-10-3-4-11-25/h1-2,6,8,12-13,19H,3-5,7,9-11,14-16H2
InChIKeyWKIAQDXQYPJWJG-UHFFFAOYSA-N
XLogP2.65
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
7-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157017052
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56904179
5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146039643
5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 134704475
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 97456778
(3R)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 92567647

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (CID 56906695) is 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is c1ccc(COC2CCCN(Cc3cnc(N4CCCC4)nc3)C2)nc1.
What is the InChIKey of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is WKIAQDXQYPJWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-8-21-18(6-1)16-26-19-7-5-9-24(15-19)14-17-12-22-20(23-13-17)25-10-3-4-11-25/h1-2,6,8,12-13,19H,3-5,7,9-11,14-16H2.
What are the key properties of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 353.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 56906695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).