4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile

C15H17ClN2O2 — CID 56793475

IUPAC4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(Cl)cc1N1CCC(C2OCCO2)CC1
InChIInChI=1S/C15H17ClN2O2/c16-13-2-1-12(10-17)14(9-13)18-5-3-11(4-6-18)15-19-7-8-20-15/h1-2,9,11,15H,3-8H2
InChIKeySZDZHDSZZUCSMT-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.80
Rot. Bonds2

About 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile

4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile (PubChem CID 56793475) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile
PubChem CID56793475
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(Cl)cc1N1CCC(C2OCCO2)CC1
InChIInChI=1S/C15H17ClN2O2/c16-13-2-1-12(10-17)14(9-13)18-5-3-11(4-6-18)15-19-7-8-20-15/h1-2,9,11,15H,3-8H2
InChIKeySZDZHDSZZUCSMT-UHFFFAOYSA-N
XLogP2.80
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile?
The IUPAC name of 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile (CID 56793475) is 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile is N#Cc1ccc(Cl)cc1N1CCC(C2OCCO2)CC1.
What is the InChIKey of 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile?
The InChIKey is SZDZHDSZZUCSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-13-2-1-12(10-17)14(9-13)18-5-3-11(4-6-18)15-19-7-8-20-15/h1-2,9,11,15H,3-8H2.
What are the key properties of 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile?
4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile has a molecular weight of 292.77 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 56793475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).