2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine

C15H20ClNO2 — CID 117452468

IUPAC2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
SMILESClc1cc(C2CCCCN2)ccc1OC1CCOC1
InChIInChI=1S/C15H20ClNO2/c16-13-9-11(14-3-1-2-7-17-14)4-5-15(13)19-12-6-8-18-10-12/h4-5,9,12,14,17H,1-3,6-8,10H2
InChIKeyNBYFLGMFWQCECL-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.32
Rot. Bonds3

About 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine

2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine (PubChem CID 117452468) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
PubChem CID117452468
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
SMILESClc1cc(C2CCCCN2)ccc1OC1CCOC1
InChIInChI=1S/C15H20ClNO2/c16-13-9-11(14-3-1-2-7-17-14)4-5-15(13)19-12-6-8-18-10-12/h4-5,9,12,14,17H,1-3,6-8,10H2
InChIKeyNBYFLGMFWQCECL-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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
4-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452446
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
CID 117450926
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195028
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
2-[4-(oxan-4-yloxy)phenyl]pyrrolidine
CID 115004800

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine?
The IUPAC name of 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine (CID 117452468) is 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine.
What is the SMILES notation for 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine?
The canonical SMILES for 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine is Clc1cc(C2CCCCN2)ccc1OC1CCOC1.
What is the InChIKey of 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine?
The InChIKey is NBYFLGMFWQCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-9-11(14-3-1-2-7-17-14)4-5-15(13)19-12-6-8-18-10-12/h4-5,9,12,14,17H,1-3,6-8,10H2.
What are the key properties of 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine?
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine has a molecular weight of 281.78 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine is sourced from PubChem (CID 117452468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).