4-(4-chlorophenoxy)-1-ethylpiperidine;ethane

C15H24ClNO — CID 143698369

IUPAC4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
SMILESCC.CCN1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClNO.C2H6/c1-2-15-9-7-13(8-10-15)16-12-5-3-11(14)4-6-12;1-2/h3-6,13H,2,7-10H2,1H3;1-2H3
InChIKeyBACPZIQMRPODQB-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.23
Rot. Bonds3

About 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane

4-(4-chlorophenoxy)-1-ethylpiperidine;ethane (PubChem CID 143698369) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
PubChem CID143698369
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
SMILESCC.CCN1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClNO.C2H6/c1-2-15-9-7-13(8-10-15)16-12-5-3-11(14)4-6-12;1-2/h3-6,13H,2,7-10H2,1H3;1-2H3
InChIKeyBACPZIQMRPODQB-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenoxy)-1-ethylpiperidine
CID 118546891
1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
CID 174434003
4-(3,5-difluorophenoxy)-1-ethylpiperidine
CID 143394651
5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine
CID 134515125
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
CID 142009570
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine
CID 152771033
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97141344
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
N-[4-(1-ethylpyrrolidin-3-yl)oxyphenyl]-N-oxidohydroxylamine
CID 58777659
4-cyclobutyloxy-1-ethylpiperidine;ethane
CID 176982865

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane?
The IUPAC name of 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane (CID 143698369) is 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane.
What is the SMILES notation for 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane?
The canonical SMILES for 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane is CC.CCN1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane?
The InChIKey is BACPZIQMRPODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.C2H6/c1-2-15-9-7-13(8-10-15)16-12-5-3-11(14)4-6-12;1-2/h3-6,13H,2,7-10H2,1H3;1-2H3.
What are the key properties of 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane?
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane has a molecular weight of 269.82 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-1-ethylpiperidine;ethane is sourced from PubChem (CID 143698369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).