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

C19H21N3O — CID 56820782

IUPAC2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(OCCc2ccccc2)CC1
InChIInChI=1S/C19H21N3O/c20-15-17-7-4-11-21-19(17)22-12-8-18(9-13-22)23-14-10-16-5-2-1-3-6-16/h1-7,11,18H,8-10,12-14H2
InChIKeyXFQNZVOHTSMEGI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.18
Rot. Bonds5

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

2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56820782) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56820782
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(OCCc2ccccc2)CC1
InChIInChI=1S/C19H21N3O/c20-15-17-7-4-11-21-19(17)22-12-8-18(9-13-22)23-14-10-16-5-2-1-3-6-16/h1-7,11,18H,8-10,12-14H2
InChIKeyXFQNZVOHTSMEGI-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 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile (CID 56820782) is 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(OCCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XFQNZVOHTSMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-15-17-7-4-11-21-19(17)22-12-8-18(9-13-22)23-14-10-16-5-2-1-3-6-16/h1-7,11,18H,8-10,12-14H2.
What are the key properties of 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile?
2-[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 2-[4-(2-phenylethoxy)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56820782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).