1-(1-hept-6-enylpiperidin-2-yl)ethanone

C14H25NO — CID 107007250

IUPAC1-(1-hept-6-enylpiperidin-2-yl)ethanone
SMILESC=CCCCCCN1CCCCC1C(C)=O
InChIInChI=1S/C14H25NO/c1-3-4-5-6-8-11-15-12-9-7-10-14(15)13(2)16/h3,14H,1,4-12H2,2H3
InChIKeyHHOGMJNREFGCEI-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.18
Rot. Bonds7

About 1-(1-hept-6-enylpiperidin-2-yl)ethanone

1-(1-hept-6-enylpiperidin-2-yl)ethanone (PubChem CID 107007250) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-hept-6-enylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-hept-6-enylpiperidin-2-yl)ethanone
PubChem CID107007250
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(1-hept-6-enylpiperidin-2-yl)ethanone
SMILESC=CCCCCCN1CCCCC1C(C)=O
InChIInChI=1S/C14H25NO/c1-3-4-5-6-8-11-15-12-9-7-10-14(15)13(2)16/h3,14H,1,4-12H2,2H3
InChIKeyHHOGMJNREFGCEI-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-hept-6-enylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(1-hept-6-enylpiperidin-2-yl)ethanone (CID 107007250) is 1-(1-hept-6-enylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-hept-6-enylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(1-hept-6-enylpiperidin-2-yl)ethanone is C=CCCCCCN1CCCCC1C(C)=O.
What is the InChIKey of 1-(1-hept-6-enylpiperidin-2-yl)ethanone?
The InChIKey is HHOGMJNREFGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-6-8-11-15-12-9-7-10-14(15)13(2)16/h3,14H,1,4-12H2,2H3.
What are the key properties of 1-(1-hept-6-enylpiperidin-2-yl)ethanone?
1-(1-hept-6-enylpiperidin-2-yl)ethanone has a molecular weight of 223.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hept-6-enylpiperidin-2-yl)ethanone is sourced from PubChem (CID 107007250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).