2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol

C12H19NO — CID 156749674

IUPAC2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol
SMILESC=C/C=C\C(=C)CC1NCCCC1O
InChIInChI=1S/C12H19NO/c1-3-4-6-10(2)9-11-12(14)7-5-8-13-11/h3-4,6,11-14H,1-2,5,7-9H2/b6-4-
InChIKeyKNLLRUYPRHRNEZ-XQRVVYSFSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds4

About 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol

2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol (PubChem CID 156749674) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol.

Molecular Properties

Compound Name2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol
PubChem CID156749674
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol
SMILESC=C/C=C\C(=C)CC1NCCCC1O
InChIInChI=1S/C12H19NO/c1-3-4-6-10(2)9-11-12(14)7-5-8-13-11/h3-4,6,11-14H,1-2,5,7-9H2/b6-4-
InChIKeyKNLLRUYPRHRNEZ-XQRVVYSFSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.79
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

Microcosamine A
CID 25140000
Micropine
CID 42608372
Corydendramine B
CID 10612465
Corydendramine A
CID 10731132
(2S,3S,4S)-4-chloro-2-[(3Z,5E)-hepta-3,5-dienyl]piperidin-3-ol
CID 163108897
(2R,3R,6S)-6-deca-1,3,5-trienyl-2-(hydroxymethyl)piperidin-3-ol
CID 91218766
(2S,4S)-2-[(E)-pent-3-enyl]piperidin-4-ol
CID 11446566
(2R,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287222
1,2,3,4,8,8a-Hexahydroquinolin-8-ol
CID 67297178
6-Prop-2-enylpiperidin-3-ol
CID 67413271
1-Piperidin-2-ylbut-3-en-1-ol
CID 70541220
2-Prop-2-enylpiperidin-3-ol
CID 76224088

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol?
The IUPAC name of 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol (CID 156749674) is 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol.
What is the SMILES notation for 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol?
The canonical SMILES for 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol is C=C/C=C\C(=C)CC1NCCCC1O.
What is the InChIKey of 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol?
The InChIKey is KNLLRUYPRHRNEZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-6-10(2)9-11-12(14)7-5-8-13-11/h3-4,6,11-14H,1-2,5,7-9H2/b6-4-.
What are the key properties of 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol?
2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol has a molecular weight of 193.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol is sourced from PubChem (CID 156749674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).