1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol

C14H23NO — CID 164543502

IUPAC1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol
SMILESC=C(C)/C=C(\C=C/C)CN1CCCC(O)C1
InChIInChI=1S/C14H23NO/c1-4-6-13(9-12(2)3)10-15-8-5-7-14(16)11-15/h4,6,9,14,16H,2,5,7-8,10-11H2,1,3H3/b6-4-,13-9+
InChIKeyCJXMHIAVAGCXFF-WZSXDBPKSA-N
MW221.34 g/mol
LogP2.52
Rot. Bonds4

About 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol

1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol (PubChem CID 164543502) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol
PubChem CID164543502
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol
SMILESC=C(C)/C=C(\C=C/C)CN1CCCC(O)C1
InChIInChI=1S/C14H23NO/c1-4-6-13(9-12(2)3)10-15-8-5-7-14(16)11-15/h4,6,9,14,16H,2,5,7-8,10-11H2,1,3H3/b6-4-,13-9+
InChIKeyCJXMHIAVAGCXFF-WZSXDBPKSA-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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Related Compounds

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CID 91218835
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol?
The IUPAC name of 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol (CID 164543502) is 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol?
The canonical SMILES for 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol is C=C(C)/C=C(\C=C/C)CN1CCCC(O)C1.
What is the InChIKey of 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol?
The InChIKey is CJXMHIAVAGCXFF-WZSXDBPKSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-13(9-12(2)3)10-15-8-5-7-14(16)11-15/h4,6,9,14,16H,2,5,7-8,10-11H2,1,3H3/b6-4-,13-9+.
What are the key properties of 1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol?
1-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-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-[(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-3-ol is sourced from PubChem (CID 164543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).