1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol

C14H23NO — CID 155472398

IUPAC1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(\C=C/C)CC1(O)CCN(C)CC1
InChIInChI=1S/C14H23NO/c1-4-6-13(7-5-2)12-14(16)8-10-15(3)11-9-14/h4-7,16H,1,8-12H2,2-3H3/b7-5-,13-6+
InChIKeyVQCLRIAAXRJSDG-IILXRZLBSA-N
MW221.34 g/mol
LogP2.52
Rot. Bonds4

About 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol

1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol (PubChem CID 155472398) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
PubChem CID155472398
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(\C=C/C)CC1(O)CCN(C)CC1
InChIInChI=1S/C14H23NO/c1-4-6-13(7-5-2)12-14(16)8-10-15(3)11-9-14/h4-7,16H,1,8-12H2,2-3H3/b7-5-,13-6+
InChIKeyVQCLRIAAXRJSDG-IILXRZLBSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.52
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-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol (CID 155472398) is 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol is C=C/C=C(\C=C/C)CC1(O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
The InChIKey is VQCLRIAAXRJSDG-IILXRZLBSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-13(7-5-2)12-14(16)8-10-15(3)11-9-14/h4-7,16H,1,8-12H2,2-3H3/b7-5-,13-6+.
What are the key properties of 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol?
1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol has a molecular weight of 221.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol is sourced from PubChem (CID 155472398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).