3-(2-chloroprop-2-enoxymethyl)piperidine

C9H16ClNO — CID 62340903

IUPAC3-(2-chloroprop-2-enoxymethyl)piperidine
SMILESC=C(Cl)COCC1CCCNC1
InChIInChI=1S/C9H16ClNO/c1-8(10)6-12-7-9-3-2-4-11-5-9/h9,11H,1-7H2
InChIKeyOVPOCVGMCWCDLS-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.76
Rot. Bonds4

About 3-(2-chloroprop-2-enoxymethyl)piperidine

3-(2-chloroprop-2-enoxymethyl)piperidine (PubChem CID 62340903) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name3-(2-chloroprop-2-enoxymethyl)piperidine
PubChem CID62340903
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-(2-chloroprop-2-enoxymethyl)piperidine
SMILESC=C(Cl)COCC1CCCNC1
InChIInChI=1S/C9H16ClNO/c1-8(10)6-12-7-9-3-2-4-11-5-9/h9,11H,1-7H2
InChIKeyOVPOCVGMCWCDLS-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine
CID 62356668
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
N-(oxan-4-yl)-2-(piperidin-3-ylmethoxy)acetamide
CID 63098360
1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
N-tert-butyl-2-(piperidin-3-ylmethoxy)acetamide
CID 62341241
3-(oxan-4-ylmethoxymethyl)piperidine
CID 62383187
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
2-(piperidin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55061103

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enoxymethyl)piperidine?
The IUPAC name of 3-(2-chloroprop-2-enoxymethyl)piperidine (CID 62340903) is 3-(2-chloroprop-2-enoxymethyl)piperidine.
What is the SMILES notation for 3-(2-chloroprop-2-enoxymethyl)piperidine?
The canonical SMILES for 3-(2-chloroprop-2-enoxymethyl)piperidine is C=C(Cl)COCC1CCCNC1.
What is the InChIKey of 3-(2-chloroprop-2-enoxymethyl)piperidine?
The InChIKey is OVPOCVGMCWCDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(10)6-12-7-9-3-2-4-11-5-9/h9,11H,1-7H2.
What are the key properties of 3-(2-chloroprop-2-enoxymethyl)piperidine?
3-(2-chloroprop-2-enoxymethyl)piperidine has a molecular weight of 189.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enoxymethyl)piperidine is sourced from PubChem (CID 62340903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).