4-piperidin-2-ylhepta-1,6-dien-4-ol

C12H21NO — CID 23007806

IUPAC4-piperidin-2-ylhepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C1CCCCN1
InChIInChI=1S/C12H21NO/c1-3-8-12(14,9-4-2)11-7-5-6-10-13-11/h3-4,11,13-14H,1-2,5-10H2
InChIKeyYBXKDSLNBGBJDS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.01
Rot. Bonds5

About 4-piperidin-2-ylhepta-1,6-dien-4-ol

4-piperidin-2-ylhepta-1,6-dien-4-ol (PubChem CID 23007806) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-piperidin-2-ylhepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-piperidin-2-ylhepta-1,6-dien-4-ol
PubChem CID23007806
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-piperidin-2-ylhepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C1CCCCN1
InChIInChI=1S/C12H21NO/c1-3-8-12(14,9-4-2)11-7-5-6-10-13-11/h3-4,11,13-14H,1-2,5-10H2
InChIKeyYBXKDSLNBGBJDS-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-2-ylhepta-1,6-dien-4-ol?
The IUPAC name of 4-piperidin-2-ylhepta-1,6-dien-4-ol (CID 23007806) is 4-piperidin-2-ylhepta-1,6-dien-4-ol.
What is the SMILES notation for 4-piperidin-2-ylhepta-1,6-dien-4-ol?
The canonical SMILES for 4-piperidin-2-ylhepta-1,6-dien-4-ol is C=CCC(O)(CC=C)C1CCCCN1.
What is the InChIKey of 4-piperidin-2-ylhepta-1,6-dien-4-ol?
The InChIKey is YBXKDSLNBGBJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-8-12(14,9-4-2)11-7-5-6-10-13-11/h3-4,11,13-14H,1-2,5-10H2.
What are the key properties of 4-piperidin-2-ylhepta-1,6-dien-4-ol?
4-piperidin-2-ylhepta-1,6-dien-4-ol has a molecular weight of 195.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-2-ylhepta-1,6-dien-4-ol is sourced from PubChem (CID 23007806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).