4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine

C16H18ClN3O — CID 141407313

IUPAC4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine
SMILESCc1ccc(Cl)cc1OC1CCN(c2ccncn2)CC1
InChIInChI=1S/C16H18ClN3O/c1-12-2-3-13(17)10-15(12)21-14-5-8-20(9-6-14)16-4-7-18-11-19-16/h2-4,7,10-11,14H,5-6,8-9H2,1H3
InChIKeyOKUUODCGMQABJQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.49
Rot. Bonds3

About 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine

4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine (PubChem CID 141407313) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine
PubChem CID141407313
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine
SMILESCc1ccc(Cl)cc1OC1CCN(c2ccncn2)CC1
InChIInChI=1S/C16H18ClN3O/c1-12-2-3-13(17)10-15(12)21-14-5-8-20(9-6-14)16-4-7-18-11-19-16/h2-4,7,10-11,14H,5-6,8-9H2,1H3
InChIKeyOKUUODCGMQABJQ-UHFFFAOYSA-N
XLogP3.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine (CID 141407313) is 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine is Cc1ccc(Cl)cc1OC1CCN(c2ccncn2)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine?
The InChIKey is OKUUODCGMQABJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-12-2-3-13(17)10-15(12)21-14-5-8-20(9-6-14)16-4-7-18-11-19-16/h2-4,7,10-11,14H,5-6,8-9H2,1H3.
What are the key properties of 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine?
4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine has a molecular weight of 303.79 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 141407313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).