3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine

C18H20ClNO — CID 58992633

IUPAC3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
SMILESClc1ccc(-c2ccc(OCC3CCCNC3)cc2)cc1
InChIInChI=1S/C18H20ClNO/c19-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-2-1-11-20-12-14/h3-10,14,20H,1-2,11-13H2
InChIKeyZKRJJAFORSMCKL-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.39
Rot. Bonds4

About 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine

3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine (PubChem CID 58992633) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
PubChem CID58992633
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
SMILESClc1ccc(-c2ccc(OCC3CCCNC3)cc2)cc1
InChIInChI=1S/C18H20ClNO/c19-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-2-1-11-20-12-14/h3-10,14,20H,1-2,11-13H2
InChIKeyZKRJJAFORSMCKL-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745
2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68598055
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
CID 26190819

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine?
The IUPAC name of 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine (CID 58992633) is 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine?
The canonical SMILES for 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine is Clc1ccc(-c2ccc(OCC3CCCNC3)cc2)cc1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine?
The InChIKey is ZKRJJAFORSMCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-2-1-11-20-12-14/h3-10,14,20H,1-2,11-13H2.
What are the key properties of 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine?
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine has a molecular weight of 301.82 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine is sourced from PubChem (CID 58992633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).