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

C17H16ClN3O — CID 133391014

IUPAC6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3ccccc3Cl)CC2)nc1
InChIInChI=1S/C17H16ClN3O/c18-15-3-1-2-4-16(15)22-14-7-9-21(10-8-14)17-6-5-13(11-19)12-20-17/h1-6,12,14H,7-10H2
InChIKeyJWVWGYFXFSDQIG-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.65
Rot. Bonds3

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

6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133391014) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133391014
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3ccccc3Cl)CC2)nc1
InChIInChI=1S/C17H16ClN3O/c18-15-3-1-2-4-16(15)22-14-7-9-21(10-8-14)17-6-5-13(11-19)12-20-17/h1-6,12,14H,7-10H2
InChIKeyJWVWGYFXFSDQIG-UHFFFAOYSA-N
XLogP3.65
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110752
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
6-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 171701933
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
CID 2746542
(5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 24997055
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171701989

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile (CID 133391014) is 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(Oc3ccccc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JWVWGYFXFSDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-15-3-1-2-4-16(15)22-14-7-9-21(10-8-14)17-6-5-13(11-19)12-20-17/h1-6,12,14H,7-10H2.
What are the key properties of 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 313.79 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133391014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).