(Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol

C16H29NO — CID 88870555

IUPAC(Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol
SMILESC/C=C(\C=C/CC)C(C)(O)C1(CC)CCCNC1
InChIInChI=1S/C16H29NO/c1-5-8-10-14(6-2)15(4,18)16(7-3)11-9-12-17-13-16/h6,8,10,17-18H,5,7,9,11-13H2,1-4H3/b10-8-,14-6+
InChIKeyHGLKJJSTSFMRKM-FPCCRMHRSA-N
MW251.41 g/mol
LogP3.43
Rot. Bonds5

About (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol

(Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol (PubChem CID 88870555) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol
PubChem CID88870555
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol
SMILESC/C=C(\C=C/CC)C(C)(O)C1(CC)CCCNC1
InChIInChI=1S/C16H29NO/c1-5-8-10-14(6-2)15(4,18)16(7-3)11-9-12-17-13-16/h6,8,10,17-18H,5,7,9,11-13H2,1-4H3/b10-8-,14-6+
InChIKeyHGLKJJSTSFMRKM-FPCCRMHRSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.43
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 (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol?
The IUPAC name of (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol (CID 88870555) is (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol.
What is the SMILES notation for (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol?
The canonical SMILES for (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol is C/C=C(\C=C/CC)C(C)(O)C1(CC)CCCNC1.
What is the InChIKey of (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol?
The InChIKey is HGLKJJSTSFMRKM-FPCCRMHRSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-8-10-14(6-2)15(4,18)16(7-3)11-9-12-17-13-16/h6,8,10,17-18H,5,7,9,11-13H2,1-4H3/b10-8-,14-6+.
What are the key properties of (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol?
(Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol has a molecular weight of 251.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol is sourced from PubChem (CID 88870555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).