ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol

C15H27NO — CID 144700167

IUPACethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol
SMILESC=C/C(=C\C=C/C)CC1(O)CCNCC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-5-6-12(4-2)11-13(15)7-9-14-10-8-13;1-2/h3-6,14-15H,2,7-11H2,1H3;1-2H3/b5-3-,12-6+;
InChIKeyMPQVWNGAIPNDPB-IXKMJOFVSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds4

About ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol

ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol (PubChem CID 144700167) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol
PubChem CID144700167
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol
SMILESC=C/C(=C\C=C/C)CC1(O)CCNCC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-3-5-6-12(4-2)11-13(15)7-9-14-10-8-13;1-2/h3-6,14-15H,2,7-11H2,1H3;1-2H3/b5-3-,12-6+;
InChIKeyMPQVWNGAIPNDPB-IXKMJOFVSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(4-Fluorocyclohexa-1,5-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 70875323
4-(3-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 143088787
4-(3-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 143088792
4-Phenylpiperidin-4-ol;yttrium
CID 58814120
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
CID 88562294
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215
4-[(4-Chlorocyclohexa-1,5-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 89053225
4-Cyclohexa-2,4-dien-1-ylpiperidin-4-ol
CID 89109775
4-(Cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 91096213
4-Penta-2,4-dien-2-ylpiperidin-4-ol
CID 123191311
4-(2-Methylprop-2-en-1-yl)piperidin-4-ol
CID 123241473

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol?
The IUPAC name of ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol (CID 144700167) is ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol.
What is the SMILES notation for ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol?
The canonical SMILES for ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol is C=C/C(=C\C=C/C)CC1(O)CCNCC1.CC.
What is the InChIKey of ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol?
The InChIKey is MPQVWNGAIPNDPB-IXKMJOFVSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-3-5-6-12(4-2)11-13(15)7-9-14-10-8-13;1-2/h3-6,14-15H,2,7-11H2,1H3;1-2H3/b5-3-,12-6+;.
What are the key properties of ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol?
ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol has a molecular weight of 237.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol is sourced from PubChem (CID 144700167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).