4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine

C14H20ClNO — CID 177191064

IUPAC4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine
SMILESCCc1ccc(Cl)c(OC2CCN(C)CC2)c1
InChIInChI=1S/C14H20ClNO/c1-3-11-4-5-13(15)14(10-11)17-12-6-8-16(2)9-7-12/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyMEAGAZNUNXCWNQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.38
Rot. Bonds3

About 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine

4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine (PubChem CID 177191064) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine
PubChem CID177191064
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine
SMILESCCc1ccc(Cl)c(OC2CCN(C)CC2)c1
InChIInChI=1S/C14H20ClNO/c1-3-11-4-5-13(15)14(10-11)17-12-6-8-16(2)9-7-12/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyMEAGAZNUNXCWNQ-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 46942138
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
2-cyclopentyloxy-4-ethyl-1-methylbenzene
CID 121457691
2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline
CID 104835034
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane
CID 143667993
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
CID 115005708
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
4-butyl-N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxyphenyl]benzenesulfonamide
CID 22185897
1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
CID 62910695
2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine?
The IUPAC name of 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine (CID 177191064) is 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine?
The canonical SMILES for 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine is CCc1ccc(Cl)c(OC2CCN(C)CC2)c1.
What is the InChIKey of 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine?
The InChIKey is MEAGAZNUNXCWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-11-4-5-13(15)14(10-11)17-12-6-8-16(2)9-7-12/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine?
4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine has a molecular weight of 253.77 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine is sourced from PubChem (CID 177191064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).