2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine

C11H15ClIN3O — CID 116649583

IUPAC2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine
SMILESClCCOC1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C11H15ClIN3O/c12-3-6-17-10-1-4-16(5-2-10)11-14-7-9(13)8-15-11/h7-8,10H,1-6H2
InChIKeyTUAIFZXQKCPRHO-UHFFFAOYSA-N
MW367.62 g/mol
LogP2.31
Rot. Bonds4

About 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine

2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine (PubChem CID 116649583) has the molecular formula C11H15ClIN3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine.

Molecular Properties

Compound Name2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine
PubChem CID116649583
Molecular FormulaC11H15ClIN3O
Molecular Weight367.62 g/mol
Exact Mass366.99
IUPAC Name2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine
SMILESClCCOC1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C11H15ClIN3O/c12-3-6-17-10-1-4-16(5-2-10)11-14-7-9(13)8-15-11/h7-8,10H,1-6H2
InChIKeyTUAIFZXQKCPRHO-UHFFFAOYSA-N
XLogP2.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-[4-(2-chloroethoxy)piperidin-1-yl]pyrimidine
CID 105370712
5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
CID 107875613
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701061
3-[4-(2-chloroethoxy)piperidin-1-yl]-6-methylpyridazine
CID 82701305
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine
CID 82701379
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 82701748
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
CID 104843548
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
3-[4-(2-chloroethoxy)piperidin-1-yl]-1-propylpyrazin-2-one
CID 82701749

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine?
The IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine (CID 116649583) is 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine.
What is the SMILES notation for 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine?
The canonical SMILES for 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine is ClCCOC1CCN(c2ncc(I)cn2)CC1.
What is the InChIKey of 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine?
The InChIKey is TUAIFZXQKCPRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN3O/c12-3-6-17-10-1-4-16(5-2-10)11-14-7-9(13)8-15-11/h7-8,10H,1-6H2.
What are the key properties of 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine?
2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine has a molecular weight of 367.62 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethoxy)piperidin-1-yl]-5-iodopyrimidine is sourced from PubChem (CID 116649583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).