2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine

C16H19ClN4O — CID 136551054

IUPAC2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine
SMILESCc1cnc(OC2CCN(Cc3ccncc3Cl)CC2)nc1
InChIInChI=1S/C16H19ClN4O/c1-12-8-19-16(20-9-12)22-14-3-6-21(7-4-14)11-13-2-5-18-10-15(13)17/h2,5,8-10,14H,3-4,6-7,11H2,1H3
InChIKeyAOUIFHZAFZHJKB-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.88
Rot. Bonds4

About 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine

2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine (PubChem CID 136551054) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine.

Molecular Properties

Compound Name2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine
PubChem CID136551054
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine
SMILESCc1cnc(OC2CCN(Cc3ccncc3Cl)CC2)nc1
InChIInChI=1S/C16H19ClN4O/c1-12-8-19-16(20-9-12)22-14-3-6-21(7-4-14)11-13-2-5-18-10-15(13)17/h2,5,8-10,14H,3-4,6-7,11H2,1H3
InChIKeyAOUIFHZAFZHJKB-UHFFFAOYSA-N
XLogP2.88
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 106838415
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682329
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]acetic acid
CID 79608115
[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
CID 71906954
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine
CID 154583495
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine
CID 91832687
4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 139028733
8-chloro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162340373
4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine
CID 118518677
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154830090

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine?
The IUPAC name of 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine (CID 136551054) is 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine.
What is the SMILES notation for 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine?
The canonical SMILES for 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine is Cc1cnc(OC2CCN(Cc3ccncc3Cl)CC2)nc1.
What is the InChIKey of 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine?
The InChIKey is AOUIFHZAFZHJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12-8-19-16(20-9-12)22-14-3-6-21(7-4-14)11-13-2-5-18-10-15(13)17/h2,5,8-10,14H,3-4,6-7,11H2,1H3.
What are the key properties of 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine?
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine has a molecular weight of 318.81 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine is sourced from PubChem (CID 136551054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).