2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine

C17H20ClN3O2 — CID 133390624

IUPAC2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCCC(COc3ccccc3Cl)C2)n1
InChIInChI=1S/C17H20ClN3O2/c1-22-16-8-9-19-17(20-16)21-10-4-5-13(11-21)12-23-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyBAUMMJRVYRVSRN-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.43
Rot. Bonds5

About 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine

2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine (PubChem CID 133390624) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
PubChem CID133390624
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCCC(COc3ccccc3Cl)C2)n1
InChIInChI=1S/C17H20ClN3O2/c1-22-16-8-9-19-17(20-16)21-10-4-5-13(11-21)12-23-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyBAUMMJRVYRVSRN-UHFFFAOYSA-N
XLogP3.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 133413516
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
CID 133390644
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine
CID 133390580
4-methoxy-2-[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]pyrimidine
CID 124575255
4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 126817206
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133390666
4-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133390610

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine (CID 133390624) is 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCCC(COc3ccccc3Cl)C2)n1.
What is the InChIKey of 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine?
The InChIKey is BAUMMJRVYRVSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-22-16-8-9-19-17(20-16)21-10-4-5-13(11-21)12-23-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-12H2,1H3.
What are the key properties of 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine?
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine has a molecular weight of 333.82 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 133390624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).