3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine

C9H16ClNO — CID 102954054

IUPAC3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
SMILESCC1CCNCC1OC/C=C/Cl
InChIInChI=1S/C9H16ClNO/c1-8-3-5-11-7-9(8)12-6-2-4-10/h2,4,8-9,11H,3,5-7H2,1H3/b4-2+
InChIKeyOAXJRTQNIQQBQL-DUXPYHPUSA-N
MW189.69 g/mol
LogP1.75
Rot. Bonds3

About 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine

3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine (PubChem CID 102954054) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine.

Molecular Properties

Compound Name3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
PubChem CID102954054
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
SMILESCC1CCNCC1OC/C=C/Cl
InChIInChI=1S/C9H16ClNO/c1-8-3-5-11-7-9(8)12-6-2-4-10/h2,4,8-9,11H,3,5-7H2,1H3/b4-2+
InChIKeyOAXJRTQNIQQBQL-DUXPYHPUSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-octoxypiperidine
CID 102954063
3-hept-6-enoxy-4-methylpiperidine
CID 107007754
2-[2-(4-methylpiperidin-3-yl)oxyethoxy]ethanol
CID 106939216
4-methyl-3-[(5-methyloxolan-2-yl)methoxy]piperidine
CID 103135750
4-methyl-3-phenylmethoxypiperidine
CID 102954119
3-methyl-5-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954306
3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole
CID 130942600
1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol
CID 106941145
4-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954056
4-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 106939218
2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile
CID 102954293
3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102954079

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine?
The IUPAC name of 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine (CID 102954054) is 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine.
What is the SMILES notation for 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine?
The canonical SMILES for 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine is CC1CCNCC1OC/C=C/Cl.
What is the InChIKey of 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine?
The InChIKey is OAXJRTQNIQQBQL-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8-3-5-11-7-9(8)12-6-2-4-10/h2,4,8-9,11H,3,5-7H2,1H3/b4-2+.
What are the key properties of 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine?
3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine has a molecular weight of 189.69 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine is sourced from PubChem (CID 102954054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).