3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine

C10H18ClNO — CID 62356668

IUPAC3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine
SMILESC=C(Cl)COCCC1CCCNC1
InChIInChI=1S/C10H18ClNO/c1-9(11)8-13-6-4-10-3-2-5-12-7-10/h10,12H,1-8H2
InChIKeyZWWBAESMDNHTBX-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.15
Rot. Bonds5

About 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine

3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine (PubChem CID 62356668) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine
PubChem CID62356668
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine
SMILESC=C(Cl)COCCC1CCCNC1
InChIInChI=1S/C10H18ClNO/c1-9(11)8-13-6-4-10-3-2-5-12-7-10/h10,12H,1-8H2
InChIKeyZWWBAESMDNHTBX-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320862
3-(2-chloroprop-2-enoxymethyl)piperidine
CID 62340903
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55064528
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
2-[(3S)-piperidin-3-yl]ethyl 2,2,2-trichloroacetate
CID 86319491

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine (CID 62356668) is 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine is C=C(Cl)COCCC1CCCNC1.
What is the InChIKey of 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine?
The InChIKey is ZWWBAESMDNHTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(11)8-13-6-4-10-3-2-5-12-7-10/h10,12H,1-8H2.
What are the key properties of 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine?
3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine has a molecular weight of 203.71 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine is sourced from PubChem (CID 62356668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).