6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile

C19H21N3O — CID 56820783

IUPAC6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(OCCc3ccccc3)CC2)nc1
InChIInChI=1S/C19H21N3O/c20-14-17-6-7-19(21-15-17)22-11-8-18(9-12-22)23-13-10-16-4-2-1-3-5-16/h1-7,15,18H,8-13H2
InChIKeyKABFDBFRZLHJSE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.18
Rot. Bonds5

About 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile

6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56820783) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56820783
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(OCCc3ccccc3)CC2)nc1
InChIInChI=1S/C19H21N3O/c20-14-17-6-7-19(21-15-17)22-11-8-18(9-12-22)23-13-10-16-4-2-1-3-5-16/h1-7,15,18H,8-13H2
InChIKeyKABFDBFRZLHJSE-UHFFFAOYSA-N
XLogP3.18
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile (CID 56820783) is 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(OCCc3ccccc3)CC2)nc1.
What is the InChIKey of 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KABFDBFRZLHJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-14-17-6-7-19(21-15-17)22-11-8-18(9-12-22)23-13-10-16-4-2-1-3-5-16/h1-7,15,18H,8-13H2.
What are the key properties of 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56820783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).