5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine

C16H23ClN2O2 — CID 71976799

IUPAC5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine
SMILESClc1ccc(N2CCC(OCC3CCCCO3)CC2)nc1
InChIInChI=1S/C16H23ClN2O2/c17-13-4-5-16(18-11-13)19-8-6-14(7-9-19)21-12-15-3-1-2-10-20-15/h4-5,11,14-15H,1-3,6-10,12H2
InChIKeyOKVLIJYEBXMYFB-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.29
Rot. Bonds4

About 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine

5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine (PubChem CID 71976799) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine
PubChem CID71976799
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine
SMILESClc1ccc(N2CCC(OCC3CCCCO3)CC2)nc1
InChIInChI=1S/C16H23ClN2O2/c17-13-4-5-16(18-11-13)19-8-6-14(7-9-19)21-12-15-3-1-2-10-20-15/h4-5,11,14-15H,1-3,6-10,12H2
InChIKeyOKVLIJYEBXMYFB-UHFFFAOYSA-N
XLogP3.29
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine (CID 71976799) is 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine is Clc1ccc(N2CCC(OCC3CCCCO3)CC2)nc1.
What is the InChIKey of 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine?
The InChIKey is OKVLIJYEBXMYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-13-4-5-16(18-11-13)19-8-6-14(7-9-19)21-12-15-3-1-2-10-20-15/h4-5,11,14-15H,1-3,6-10,12H2.
What are the key properties of 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine?
5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine has a molecular weight of 310.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(oxan-2-ylmethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 71976799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).