4-penta-2,4-dien-2-ylpiperidin-4-ol

C10H17NO — CID 123191311

IUPAC4-penta-2,4-dien-2-ylpiperidin-4-ol
SMILESC=CC=C(C)C1(O)CCNCC1
InChIInChI=1S/C10H17NO/c1-3-4-9(2)10(12)5-7-11-8-6-10/h3-4,11-12H,1,5-8H2,2H3
InChIKeyNTBYORUBNQSUTJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.23
Rot. Bonds2

About 4-penta-2,4-dien-2-ylpiperidin-4-ol

4-penta-2,4-dien-2-ylpiperidin-4-ol (PubChem CID 123191311) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-penta-2,4-dien-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-penta-2,4-dien-2-ylpiperidin-4-ol
PubChem CID123191311
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-penta-2,4-dien-2-ylpiperidin-4-ol
SMILESC=CC=C(C)C1(O)CCNCC1
InChIInChI=1S/C10H17NO/c1-3-4-9(2)10(12)5-7-11-8-6-10/h3-4,11-12H,1,5-8H2,2H3
InChIKeyNTBYORUBNQSUTJ-UHFFFAOYSA-N
XLogP1.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
CID 90418895
(E)-4-(4,4,4-trifluorobut-1-enyl)piperidin-4-ol
CID 90447571
4-(4,4,4-Trifluorobut-1-enyl)piperidin-4-ol
CID 123163432
4-(3,3-Difluoroprop-1-enyl)piperidin-4-ol
CID 123968088
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
4-[(3E)-4-[amino(difluoro)methyl]-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-ol
CID 143151017
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Phenylpiperidin-4-ol;yttrium
CID 58814120
4-Phenylpiperidin-4-ol;tungsten
CID 59320739
4-Prop-1-en-2-ylpiperidin-4-ol
CID 79190995
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
CID 88562294
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215

Frequently Asked Questions

What is the IUPAC name of 4-penta-2,4-dien-2-ylpiperidin-4-ol?
The IUPAC name of 4-penta-2,4-dien-2-ylpiperidin-4-ol (CID 123191311) is 4-penta-2,4-dien-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-penta-2,4-dien-2-ylpiperidin-4-ol?
The canonical SMILES for 4-penta-2,4-dien-2-ylpiperidin-4-ol is C=CC=C(C)C1(O)CCNCC1.
What is the InChIKey of 4-penta-2,4-dien-2-ylpiperidin-4-ol?
The InChIKey is NTBYORUBNQSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-9(2)10(12)5-7-11-8-6-10/h3-4,11-12H,1,5-8H2,2H3.
What are the key properties of 4-penta-2,4-dien-2-ylpiperidin-4-ol?
4-penta-2,4-dien-2-ylpiperidin-4-ol has a molecular weight of 167.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-penta-2,4-dien-2-ylpiperidin-4-ol is sourced from PubChem (CID 123191311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).