(2R)-2-(2-pent-4-enoxyethyl)piperidine

C12H23NO — CID 86320716

IUPAC(2R)-2-(2-pent-4-enoxyethyl)piperidine
SMILESC=CCCCOCC[C@H]1CCCCN1
InChIInChI=1S/C12H23NO/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12/h2,12-13H,1,3-11H2/t12-/m1/s1
InChIKeyZTLNWCJQNFUSHX-GFCCVEGCSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About (2R)-2-(2-pent-4-enoxyethyl)piperidine

(2R)-2-(2-pent-4-enoxyethyl)piperidine (PubChem CID 86320716) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R)-2-(2-pent-4-enoxyethyl)piperidine.

Molecular Properties

Compound Name(2R)-2-(2-pent-4-enoxyethyl)piperidine
PubChem CID86320716
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R)-2-(2-pent-4-enoxyethyl)piperidine
SMILESC=CCCCOCC[C@H]1CCCCN1
InChIInChI=1S/C12H23NO/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12/h2,12-13H,1,3-11H2/t12-/m1/s1
InChIKeyZTLNWCJQNFUSHX-GFCCVEGCSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148278
N-propyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148689
1-(2,2-difluoroethoxy)-N-methyloct-7-en-3-amine
CID 103149205
1-(2,2-difluoroethoxy)-N-ethyloct-7-en-3-amine
CID 103149539
1-(2,2-difluoroethoxy)-N-propyloct-7-en-3-amine
CID 103149848
N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
CID 107009819
N-propyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
CID 107009820
1-(2,2-difluoroethoxy)-N-ethyldec-9-en-3-amine
CID 107009823
1-(2,2-difluoroethoxy)-N-propyldec-9-en-3-amine
CID 107009824
N-ethyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 113780929
2-(2-Ethoxyethyl)-3-prop-2-enylpiperazine
CID 57324690
N-but-3-enyloxan-4-amine
CID 64316493

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-pent-4-enoxyethyl)piperidine?
The IUPAC name of (2R)-2-(2-pent-4-enoxyethyl)piperidine (CID 86320716) is (2R)-2-(2-pent-4-enoxyethyl)piperidine.
What is the SMILES notation for (2R)-2-(2-pent-4-enoxyethyl)piperidine?
The canonical SMILES for (2R)-2-(2-pent-4-enoxyethyl)piperidine is C=CCCCOCC[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(2-pent-4-enoxyethyl)piperidine?
The InChIKey is ZTLNWCJQNFUSHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-6-10-14-11-8-12-7-4-5-9-13-12/h2,12-13H,1,3-11H2/t12-/m1/s1.
What are the key properties of (2R)-2-(2-pent-4-enoxyethyl)piperidine?
(2R)-2-(2-pent-4-enoxyethyl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-pent-4-enoxyethyl)piperidine is sourced from PubChem (CID 86320716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).