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

C15H20ClNO2 — CID 117452446

IUPAC4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
SMILESClc1cc(C2CCNCC2)ccc1OC1CCOC1
InChIInChI=1S/C15H20ClNO2/c16-14-9-12(11-3-6-17-7-4-11)1-2-15(14)19-13-5-8-18-10-13/h1-2,9,11,13,17H,3-8,10H2
InChIKeyNOCGEHACJYODQH-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.97
Rot. Bonds3

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

4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine (PubChem CID 117452446) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
PubChem CID117452446
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
SMILESClc1cc(C2CCNCC2)ccc1OC1CCOC1
InChIInChI=1S/C15H20ClNO2/c16-14-9-12(11-3-6-17-7-4-11)1-2-15(14)19-13-5-8-18-10-13/h1-2,9,11,13,17H,3-8,10H2
InChIKeyNOCGEHACJYODQH-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
CID 117423041
2-(oxolan-3-yloxy)-4-piperidin-4-ylaniline
CID 164888733
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452468
4-[2-[(3R)-oxolan-3-yl]oxyphenyl]piperidine
CID 156722278
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
4-[2-methoxy-5-(oxolan-3-yl)phenyl]piperidine
CID 117408137
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride
CID 63557749

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine?
The IUPAC name of 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine (CID 117452446) is 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine.
What is the SMILES notation for 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine?
The canonical SMILES for 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine is Clc1cc(C2CCNCC2)ccc1OC1CCOC1.
What is the InChIKey of 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine?
The InChIKey is NOCGEHACJYODQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14-9-12(11-3-6-17-7-4-11)1-2-15(14)19-13-5-8-18-10-13/h1-2,9,11,13,17H,3-8,10H2.
What are the key properties of 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine?
4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine has a molecular weight of 281.78 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine is sourced from PubChem (CID 117452446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).