[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol

C13H21NO — CID 143563755

IUPAC[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C/C)C1(CO)CCNCC1
InChIInChI=1S/C13H21NO/c1-3-5-12(6-4-2)13(11-15)7-9-14-10-8-13/h3-6,14-15H,1,7-11H2,2H3/b6-4-,12-5+
InChIKeyPKEZSGMBNAUZSW-GLNLJRCCSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds4

About [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol

[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol (PubChem CID 143563755) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
PubChem CID143563755
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C/C)C1(CO)CCNCC1
InChIInChI=1S/C13H21NO/c1-3-5-12(6-4-2)13(11-15)7-9-14-10-8-13/h3-6,14-15H,1,7-11H2,2H3/b6-4-,12-5+
InChIKeyPKEZSGMBNAUZSW-GLNLJRCCSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol (CID 143563755) is [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol is C=C/C=C(\C=C/C)C1(CO)CCNCC1.
What is the InChIKey of [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
The InChIKey is PKEZSGMBNAUZSW-GLNLJRCCSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-12(6-4-2)13(11-15)7-9-14-10-8-13/h3-6,14-15H,1,7-11H2,2H3/b6-4-,12-5+.
What are the key properties of [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol?
[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol has a molecular weight of 207.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 143563755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).