4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine

C13H23NO — CID 143791987

IUPAC4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine
SMILESC/C=C\C(=C/CC)COC1CCNCC1
InChIInChI=1S/C13H23NO/c1-3-5-12(6-4-2)11-15-13-7-9-14-10-8-13/h3,5-6,13-14H,4,7-11H2,1-2H3/b5-3-,12-6+
InChIKeyZMSXILNBWLVUAV-YXMBOXQASA-N
MW209.33 g/mol
LogP2.67
Rot. Bonds5

About 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine

4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine (PubChem CID 143791987) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine.

Molecular Properties

Compound Name4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine
PubChem CID143791987
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine
SMILESC/C=C\C(=C/CC)COC1CCNCC1
InChIInChI=1S/C13H23NO/c1-3-5-12(6-4-2)11-15-13-7-9-14-10-8-13/h3,5-6,13-14H,4,7-11H2,1-2H3/b5-3-,12-6+
InChIKeyZMSXILNBWLVUAV-YXMBOXQASA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxypiperidine
CID 89672767
4-[[4-Fluoro-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 140229680
4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
(2Z,4Z)-2-ethenyl-3-fluoro-4-(piperidin-4-yloxymethyl)hexa-2,4-dien-1-ol
CID 144440713
4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622
4-[(4-Fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
CID 164543507
4-[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 162578474
4-[(E)-but-2-enoxy]piperidine
CID 43346316
4-(Phenylmethoxy)piperidin-4-ide;yttrium
CID 57643063
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
2-[(4-Methoxycyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperazine
CID 68355047
2-[(E)-hex-3-en-3-yl]morpholine
CID 68590550

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine?
The IUPAC name of 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine (CID 143791987) is 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine.
What is the SMILES notation for 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine?
The canonical SMILES for 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine is C/C=C\C(=C/CC)COC1CCNCC1.
What is the InChIKey of 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine?
The InChIKey is ZMSXILNBWLVUAV-YXMBOXQASA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-12(6-4-2)11-15-13-7-9-14-10-8-13/h3,5-6,13-14H,4,7-11H2,1-2H3/b5-3-,12-6+.
What are the key properties of 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine?
4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine has a molecular weight of 209.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine is sourced from PubChem (CID 143791987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).