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

C16H18ClN3O2 — CID 133413516

IUPAC2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(Oc3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H18ClN3O2/c1-21-15-6-9-18-16(19-15)20-10-7-12(8-11-20)22-14-5-3-2-4-13(14)17/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyFQHFWCMTBIBEDJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.19
Rot. Bonds4

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

2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine (PubChem CID 133413516) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
PubChem CID133413516
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(Oc3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H18ClN3O2/c1-21-15-6-9-18-16(19-15)20-10-7-12(8-11-20)22-14-5-3-2-4-13(14)17/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyFQHFWCMTBIBEDJ-UHFFFAOYSA-N
XLogP3.19
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 154833904
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
CID 133390624
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155975727
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 71977837
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275
2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 154772463
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine (CID 133413516) is 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCC(Oc3ccccc3Cl)CC2)n1.
What is the InChIKey of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The InChIKey is FQHFWCMTBIBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-21-15-6-9-18-16(19-15)20-10-7-12(8-11-20)22-14-5-3-2-4-13(14)17/h2-6,9,12H,7-8,10-11H2,1H3.
What are the key properties of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine has a molecular weight of 319.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 133413516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).