2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile

C14H19N3O2 — CID 114766521

IUPAC2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C14H19N3O2/c1-11-8-12(10-15)9-14(16-11)17-4-2-13(3-5-17)19-7-6-18/h8-9,13,18H,2-7H2,1H3
InChIKeyRUTDQBLTYAEFBV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.24
Rot. Bonds4

About 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile

2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile (PubChem CID 114766521) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
PubChem CID114766521
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C14H19N3O2/c1-11-8-12(10-15)9-14(16-11)17-4-2-13(3-5-17)19-7-6-18/h8-9,13,18H,2-7H2,1H3
InChIKeyRUTDQBLTYAEFBV-UHFFFAOYSA-N
XLogP1.24
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile (CID 114766521) is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CCC(OCCO)CC2)n1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile?
The InChIKey is RUTDQBLTYAEFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-8-12(10-15)9-14(16-11)17-4-2-13(3-5-17)19-7-6-18/h8-9,13,18H,2-7H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile?
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).