4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine

C14H16ClNO — CID 10586738

IUPAC4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine
SMILESClc1ccc(OC2=CCN(C3CC3)CC2)cc1
InChIInChI=1S/C14H16ClNO/c15-11-1-5-13(6-2-11)17-14-7-9-16(10-8-14)12-3-4-12/h1-2,5-7,12H,3-4,8-10H2
InChIKeyKHCDVOAEAFYQGT-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.47
Rot. Bonds3

About 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine

4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine (PubChem CID 10586738) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine
PubChem CID10586738
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine
SMILESClc1ccc(OC2=CCN(C3CC3)CC2)cc1
InChIInChI=1S/C14H16ClNO/c15-11-1-5-13(6-2-11)17-14-7-9-16(10-8-14)12-3-4-12/h1-2,5-7,12H,3-4,8-10H2
InChIKeyKHCDVOAEAFYQGT-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10996522
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4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055523
(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine (CID 10586738) is 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine is Clc1ccc(OC2=CCN(C3CC3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine?
The InChIKey is KHCDVOAEAFYQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-11-1-5-13(6-2-11)17-14-7-9-16(10-8-14)12-3-4-12/h1-2,5-7,12H,3-4,8-10H2.
What are the key properties of 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine?
4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine has a molecular weight of 249.74 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1-cyclopropyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10586738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).