4-(4-chloro-2-cyclohexylphenoxy)piperidine

C17H24ClNO — CID 22397483

IUPAC4-(4-chloro-2-cyclohexylphenoxy)piperidine
SMILESClc1ccc(OC2CCNCC2)c(C2CCCCC2)c1
InChIInChI=1S/C17H24ClNO/c18-14-6-7-17(20-15-8-10-19-11-9-15)16(12-14)13-4-2-1-3-5-13/h6-7,12-13,15,19H,1-5,8-11H2
InChIKeyCWZIEDACJJQIBJ-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.52
Rot. Bonds3

About 4-(4-chloro-2-cyclohexylphenoxy)piperidine

4-(4-chloro-2-cyclohexylphenoxy)piperidine (PubChem CID 22397483) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-(4-chloro-2-cyclohexylphenoxy)piperidine.

Molecular Properties

Compound Name4-(4-chloro-2-cyclohexylphenoxy)piperidine
PubChem CID22397483
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name4-(4-chloro-2-cyclohexylphenoxy)piperidine
SMILESClc1ccc(OC2CCNCC2)c(C2CCCCC2)c1
InChIInChI=1S/C17H24ClNO/c18-14-6-7-17(20-15-8-10-19-11-9-15)16(12-14)13-4-2-1-3-5-13/h6-7,12-13,15,19H,1-5,8-11H2
InChIKeyCWZIEDACJJQIBJ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
(3S)-3-[(S)-(4-chloro-2-cyclohexylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 66892355
4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
4-(2-cyclopentyloxyphenyl)piperidine
CID 156722248
4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride
CID 159278174
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
4-(4-chloro-2-cyclohexylphenoxy)phenol
CID 12767829
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
potassium (4-chloro-2-cyclohexylphenoxy)methyl-trifluoroboranuide
CID 63703656

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-cyclohexylphenoxy)piperidine?
The IUPAC name of 4-(4-chloro-2-cyclohexylphenoxy)piperidine (CID 22397483) is 4-(4-chloro-2-cyclohexylphenoxy)piperidine.
What is the SMILES notation for 4-(4-chloro-2-cyclohexylphenoxy)piperidine?
The canonical SMILES for 4-(4-chloro-2-cyclohexylphenoxy)piperidine is Clc1ccc(OC2CCNCC2)c(C2CCCCC2)c1.
What is the InChIKey of 4-(4-chloro-2-cyclohexylphenoxy)piperidine?
The InChIKey is CWZIEDACJJQIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-14-6-7-17(20-15-8-10-19-11-9-15)16(12-14)13-4-2-1-3-5-13/h6-7,12-13,15,19H,1-5,8-11H2.
What are the key properties of 4-(4-chloro-2-cyclohexylphenoxy)piperidine?
4-(4-chloro-2-cyclohexylphenoxy)piperidine has a molecular weight of 293.84 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-cyclohexylphenoxy)piperidine is sourced from PubChem (CID 22397483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).