3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine

C15H20ClNO — CID 117418869

IUPAC3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
SMILESClc1cc(C2CCCNC2)ccc1C1CCOC1
InChIInChI=1S/C15H20ClNO/c16-15-8-11(12-2-1-6-17-9-12)3-4-14(15)13-5-7-18-10-13/h3-4,8,12-13,17H,1-2,5-7,9-10H2
InChIKeyHDGOFBFZLXJKPO-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.31
Rot. Bonds2

About 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine

3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine (PubChem CID 117418869) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine.

Molecular Properties

Compound Name3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
PubChem CID117418869
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
SMILESClc1cc(C2CCCNC2)ccc1C1CCOC1
InChIInChI=1S/C15H20ClNO/c16-15-8-11(12-2-1-6-17-9-12)3-4-14(15)13-5-7-18-10-13/h3-4,8,12-13,17H,1-2,5-7,9-10H2
InChIKeyHDGOFBFZLXJKPO-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-4-(oxan-4-yl)phenyl]pyrrolidine
CID 117418775
2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine
CID 117418918
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
3-chloro-4-piperidin-3-ylphenol
CID 82612870
3-chloro-4-(oxolan-3-yl)phenol
CID 84668553
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
CID 117423041
3-[2-(oxolan-3-yl)phenyl]pyrrolidine
CID 83836153
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263
6-(3-chlorophenyl)-1,4-oxazepane
CID 82284235
2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine
CID 117497013
3-piperidin-3-ylbenzenethiol
CID 116988736
1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol
CID 117326037

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine?
The IUPAC name of 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine (CID 117418869) is 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine.
What is the SMILES notation for 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine?
The canonical SMILES for 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine is Clc1cc(C2CCCNC2)ccc1C1CCOC1.
What is the InChIKey of 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine?
The InChIKey is HDGOFBFZLXJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-15-8-11(12-2-1-6-17-9-12)3-4-14(15)13-5-7-18-10-13/h3-4,8,12-13,17H,1-2,5-7,9-10H2.
What are the key properties of 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine?
3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine has a molecular weight of 265.78 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine is sourced from PubChem (CID 117418869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).