5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine

C15H19ClN4O — CID 99637249

IUPAC5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine
SMILESCn1ccnc1CN1CCC[C@@H](Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C15H19ClN4O/c1-19-8-6-17-14(19)11-20-7-2-3-13(10-20)21-15-5-4-12(16)9-18-15/h4-6,8-9,13H,2-3,7,10-11H2,1H3/t13-/m1/s1
InChIKeyPKFVWAJDEWRVIL-CYBMUJFWSA-N
MW306.80 g/mol
LogP2.51
Rot. Bonds4

About 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine

5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine (PubChem CID 99637249) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine.

Molecular Properties

Compound Name5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine
PubChem CID99637249
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine
SMILESCn1ccnc1CN1CCC[C@@H](Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C15H19ClN4O/c1-19-8-6-17-14(19)11-20-7-2-3-13(10-20)21-15-5-4-12(16)9-18-15/h4-6,8-9,13H,2-3,7,10-11H2,1H3/t13-/m1/s1
InChIKeyPKFVWAJDEWRVIL-CYBMUJFWSA-N
XLogP2.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine?
The IUPAC name of 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine (CID 99637249) is 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine.
What is the SMILES notation for 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine?
The canonical SMILES for 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine is Cn1ccnc1CN1CCC[C@@H](Oc2ccc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine?
The InChIKey is PKFVWAJDEWRVIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-19-8-6-17-14(19)11-20-7-2-3-13(10-20)21-15-5-4-12(16)9-18-15/h4-6,8-9,13H,2-3,7,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine?
5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine has a molecular weight of 306.80 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine is sourced from PubChem (CID 99637249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).