4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane

C17H28ClNO — CID 143666320

IUPAC4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
SMILESCC.CCc1cc(Cl)ccc1OCC1CCN(C)CC1
InChIInChI=1S/C15H22ClNO.C2H6/c1-3-13-10-14(16)4-5-15(13)18-11-12-6-8-17(2)9-7-12;1-2/h4-5,10,12H,3,6-9,11H2,1-2H3;1-2H3
InChIKeyWGGIZKBVXFENBH-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.65
Rot. Bonds4

About 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane

4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane (PubChem CID 143666320) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane.

Molecular Properties

Compound Name4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
PubChem CID143666320
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
SMILESCC.CCc1cc(Cl)ccc1OCC1CCN(C)CC1
InChIInChI=1S/C15H22ClNO.C2H6/c1-3-13-10-14(16)4-5-15(13)18-11-12-6-8-17(2)9-7-12;1-2/h4-5,10,12H,3,6-9,11H2,1-2H3;1-2H3
InChIKeyWGGIZKBVXFENBH-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
[(3S)-1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methylazanium
CID 177027719
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
1-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838415
3-[5-chloro-2-(cyclobutylmethoxy)phenyl]propanal
CID 117384880
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane?
The IUPAC name of 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane (CID 143666320) is 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane.
What is the SMILES notation for 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane?
The canonical SMILES for 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane is CC.CCc1cc(Cl)ccc1OCC1CCN(C)CC1.
What is the InChIKey of 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane?
The InChIKey is WGGIZKBVXFENBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO.C2H6/c1-3-13-10-14(16)4-5-15(13)18-11-12-6-8-17(2)9-7-12;1-2/h4-5,10,12H,3,6-9,11H2,1-2H3;1-2H3.
What are the key properties of 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane?
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane has a molecular weight of 297.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane is sourced from PubChem (CID 143666320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).