4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine

C16H27NO — CID 144506886

IUPAC4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine
SMILESC/C=C\C(=C\COC1CCNCC1)\C(C)=C/CC
InChIInChI=1S/C16H27NO/c1-4-6-14(3)15(7-5-2)10-13-18-16-8-11-17-12-9-16/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3/b7-5-,14-6-,15-10-
InChIKeyVFRMVHSWTZHDDH-PWJSYZGOSA-N
MW249.40 g/mol
LogP3.61
Rot. Bonds6

About 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine

4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine (PubChem CID 144506886) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine.

Molecular Properties

Compound Name4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine
PubChem CID144506886
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine
SMILESC/C=C\C(=C\COC1CCNCC1)\C(C)=C/CC
InChIInChI=1S/C16H27NO/c1-4-6-14(3)15(7-5-2)10-13-18-16-8-11-17-12-9-16/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3/b7-5-,14-6-,15-10-
InChIKeyVFRMVHSWTZHDDH-PWJSYZGOSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine?
The IUPAC name of 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine (CID 144506886) is 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine.
What is the SMILES notation for 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine?
The canonical SMILES for 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine is C/C=C\C(=C\COC1CCNCC1)\C(C)=C/CC.
What is the InChIKey of 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine?
The InChIKey is VFRMVHSWTZHDDH-PWJSYZGOSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-14(3)15(7-5-2)10-13-18-16-8-11-17-12-9-16/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3/b7-5-,14-6-,15-10-.
What are the key properties of 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine?
4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine has a molecular weight of 249.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine is sourced from PubChem (CID 144506886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).