3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol

C16H29NO — CID 139470817

IUPAC3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol
SMILESC/C=C(C)\C=C/CN1CC(C)(C)C(O)C(C)(C)C1
InChIInChI=1S/C16H29NO/c1-7-13(2)9-8-10-17-11-15(3,4)14(18)16(5,6)12-17/h7-9,14,18H,10-12H2,1-6H3/b9-8-,13-7-
InChIKeyZQKRZSRWCVKIOA-XOKMEUMPSA-N
MW251.41 g/mol
LogP3.24
Rot. Bonds3

About 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol

3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol (PubChem CID 139470817) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol
PubChem CID139470817
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol
SMILESC/C=C(C)\C=C/CN1CC(C)(C)C(O)C(C)(C)C1
InChIInChI=1S/C16H29NO/c1-7-13(2)9-8-10-17-11-15(3,4)14(18)16(5,6)12-17/h7-9,14,18H,10-12H2,1-6H3/b9-8-,13-7-
InChIKeyZQKRZSRWCVKIOA-XOKMEUMPSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.24
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 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol?
The IUPAC name of 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol (CID 139470817) is 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol is C/C=C(C)\C=C/CN1CC(C)(C)C(O)C(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol?
The InChIKey is ZQKRZSRWCVKIOA-XOKMEUMPSA-N. The full InChI is InChI=1S/C16H29NO/c1-7-13(2)9-8-10-17-11-15(3,4)14(18)16(5,6)12-17/h7-9,14,18H,10-12H2,1-6H3/b9-8-,13-7-.
What are the key properties of 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol?
3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol has a molecular weight of 251.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol is sourced from PubChem (CID 139470817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).