2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine

C17H21N3O3 — CID 56796871

IUPAC2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine
SMILESCOc1cccc(OC)c1OC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N3O3/c1-21-14-5-3-6-15(22-2)16(14)23-13-7-11-20(12-8-13)17-18-9-4-10-19-17/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyMOPXKILNZDEFAQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.54
Rot. Bonds5

About 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine

2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine (PubChem CID 56796871) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine
PubChem CID56796871
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine
SMILESCOc1cccc(OC)c1OC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N3O3/c1-21-14-5-3-6-15(22-2)16(14)23-13-7-11-20(12-8-13)17-18-9-4-10-19-17/h3-6,9-10,13H,7-8,11-12H2,1-2H3
InChIKeyMOPXKILNZDEFAQ-UHFFFAOYSA-N
XLogP2.54
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 10737897
2-{[4-(3-Methoxyphenoxy)butyl]thio}pyrimidine
CID 2183582
(5-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 10666853
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-pyrimidin-2-ylethane-1,2-diamine
CID 10731942
(2-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 10736855
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(1-pyrimidin-2-ylpiperidin-4-yl)methanamine
CID 10783359
(3-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 10784327
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(1-pyrimidin-2-ylpiperidin-4-yl)methanamine
CID 10807090
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine
CID 11792453
5-[[3,5-Dimethoxy-4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 12752270
5-[[3,5-Dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 12752271
1-(3-Methoxyphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol dihydrochloride
CID 15945839

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine (CID 56796871) is 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine is COc1cccc(OC)c1OC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine?
The InChIKey is MOPXKILNZDEFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-21-14-5-3-6-15(22-2)16(14)23-13-7-11-20(12-8-13)17-18-9-4-10-19-17/h3-6,9-10,13H,7-8,11-12H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine?
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine has a molecular weight of 315.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 56796871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).