1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol

C10H17NO — CID 145169483

IUPAC1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol
SMILESC=C/C(=C\C)N1CCC(O)CC1
InChIInChI=1S/C10H17NO/c1-3-9(4-2)11-7-5-10(12)6-8-11/h3-4,10,12H,1,5-8H2,2H3/b9-4+
InChIKeyNJGNPYRHSVWOTO-RUDMXATFSA-N
MW167.25 g/mol
LogP1.53
Rot. Bonds2

About 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol

1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol (PubChem CID 145169483) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol
PubChem CID145169483
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol
SMILESC=C/C(=C\C)N1CCC(O)CC1
InChIInChI=1S/C10H17NO/c1-3-9(4-2)11-7-5-10(12)6-8-11/h3-4,10,12H,1,5-8H2,2H3/b9-4+
InChIKeyNJGNPYRHSVWOTO-RUDMXATFSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.53
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 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol?
The IUPAC name of 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol (CID 145169483) is 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol is C=C/C(=C\C)N1CCC(O)CC1.
What is the InChIKey of 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol?
The InChIKey is NJGNPYRHSVWOTO-RUDMXATFSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(4-2)11-7-5-10(12)6-8-11/h3-4,10,12H,1,5-8H2,2H3/b9-4+.
What are the key properties of 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol?
1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol has a molecular weight of 167.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol is sourced from PubChem (CID 145169483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).