propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate

C14H20ClN3O3 — CID 11493357

IUPACpropan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1c(Cl)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H20ClN3O3/c1-9(2)20-14(19)18-6-4-11(5-7-18)21-13-10(3)12(15)16-8-17-13/h8-9,11H,4-7H2,1-3H3
InChIKeyZTDVZGHSZBJDJD-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.83
Rot. Bonds3

About propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate

propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 11493357) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID11493357
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Namepropan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1c(Cl)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H20ClN3O3/c1-9(2)20-14(19)18-6-4-11(5-7-18)21-13-10(3)12(15)16-8-17-13/h8-9,11H,4-7H2,1-3H3
InChIKeyZTDVZGHSZBJDJD-UHFFFAOYSA-N
XLogP2.83
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 11493357) is propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate is Cc1c(Cl)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is ZTDVZGHSZBJDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-9(2)20-14(19)18-6-4-11(5-7-18)21-13-10(3)12(15)16-8-17-13/h8-9,11H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 313.79 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 11493357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).