ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol

C14H25NO — CID 143618658

IUPACethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)C1(CO)CCNCC1.CC
InChIInChI=1S/C12H19NO.C2H6/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12;1-2/h3-5,13-14H,1-2,6-10H2;1-2H3/b11-5+;
InChIKeyHOPBAKJLCXTMGI-HMXKFKBXSA-N
MW223.36 g/mol
LogP2.67
Rot. Bonds4

About ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol

ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (PubChem CID 143618658) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
PubChem CID143618658
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)C1(CO)CCNCC1.CC
InChIInChI=1S/C12H19NO.C2H6/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12;1-2/h3-5,13-14H,1-2,6-10H2;1-2H3/b11-5+;
InChIKeyHOPBAKJLCXTMGI-HMXKFKBXSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Ethenylpiperidin-4-yl)methanol
CID 146049241
4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 142015597
[(3E,4S)-3-ethylidenepiperidin-4-yl]methanol
CID 68026897
[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
CID 70634236
(3-Ethylidenepiperidin-4-yl)methanol
CID 77395353
1-[4-[(3E,5Z)-4-(aminomethyl)hepta-1,3,5-trien-2-yl]piperidin-1-yl]-3,3-dimethylbutan-1-ol
CID 89126411
(2,3,3-Trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol
CID 89133248
[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol
CID 89182468
[4-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 91242625
4-Hexa-1,3,5-trien-3-ylpiperidin-3-ol
CID 123244966

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (CID 143618658) is ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is C=C/C=C(\C=C)C1(CO)CCNCC1.CC.
What is the InChIKey of ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The InChIKey is HOPBAKJLCXTMGI-HMXKFKBXSA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12;1-2/h3-5,13-14H,1-2,6-10H2;1-2H3/b11-5+;.
What are the key properties of ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol has a molecular weight of 223.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 143618658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).