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

C8H14ClNO — CID 62329053

IUPAC3-[(E)-3-chloroprop-2-enoxy]piperidine
SMILESCl/C=C/COC1CCCNC1
InChIInChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+
InChIKeyLBMANKVZQUMXEO-DUXPYHPUSA-N
MW175.66 g/mol
LogP1.51
Rot. Bonds3

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

3-[(E)-3-chloroprop-2-enoxy]piperidine (PubChem CID 62329053) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-2-enoxy]piperidine.

Molecular Properties

Compound Name3-[(E)-3-chloroprop-2-enoxy]piperidine
PubChem CID62329053
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3-[(E)-3-chloroprop-2-enoxy]piperidine
SMILESCl/C=C/COC1CCCNC1
InChIInChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+
InChIKeyLBMANKVZQUMXEO-DUXPYHPUSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-prop-2-enoxypiperidine
CID 26191208
(3S)-3-prop-2-enoxypiperidine
CID 26191211
3-(Allyloxy)piperidine
CID 45075369
3-(Allyloxy)piperidine hydrochloride
CID 46735649
(3s)-3-(Allyloxy)piperidine hydrochloride salt
CID 69041856
(3r)-3-(Allyloxy)piperidine hydrochloride salt
CID 69042280
(3R,5S)-3-methoxy-5-prop-2-enoxypiperidine
CID 170563825
4-[(E)-3-chloroprop-2-enoxy]piperidine
CID 43346317
3-[2-(Allyloxy)ethoxy]piperidine hydrochloride
CID 53409511
3-(2-Prop-2-enoxyethoxy)piperidine
CID 53409512
3-[(E)-but-2-enoxy]piperidine
CID 62329214
3-(2-Chloroprop-2-enoxy)piperidine
CID 62329215

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-2-enoxy]piperidine?
The IUPAC name of 3-[(E)-3-chloroprop-2-enoxy]piperidine (CID 62329053) is 3-[(E)-3-chloroprop-2-enoxy]piperidine.
What is the SMILES notation for 3-[(E)-3-chloroprop-2-enoxy]piperidine?
The canonical SMILES for 3-[(E)-3-chloroprop-2-enoxy]piperidine is Cl/C=C/COC1CCCNC1.
What is the InChIKey of 3-[(E)-3-chloroprop-2-enoxy]piperidine?
The InChIKey is LBMANKVZQUMXEO-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-4-2-6-11-8-3-1-5-10-7-8/h2,4,8,10H,1,3,5-7H2/b4-2+.
What are the key properties of 3-[(E)-3-chloroprop-2-enoxy]piperidine?
3-[(E)-3-chloroprop-2-enoxy]piperidine has a molecular weight of 175.66 g/mol, XLogP of 1.51, 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]piperidine is sourced from PubChem (CID 62329053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).