1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol

C19H29ClN2O — CID 89256483

IUPAC1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol
SMILESC=C/C(Cl)=C\CCC1(O)CCN(/C(C)=C/C=C(/N)C(=C)C)CC1
InChIInChI=1S/C19H29ClN2O/c1-5-17(20)7-6-10-19(23)11-13-22(14-12-19)16(4)8-9-18(21)15(2)3/h5,7-9,23H,1-2,6,10-14,21H2,3-4H3/b16-8+,17-7+,18-9+
InChIKeyZPTSEYOXUTUGJS-SNHNKHJOSA-N
MW336.91 g/mol
LogP4.22
Rot. Bonds7

About 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol

1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol (PubChem CID 89256483) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol
PubChem CID89256483
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol
SMILESC=C/C(Cl)=C\CCC1(O)CCN(/C(C)=C/C=C(/N)C(=C)C)CC1
InChIInChI=1S/C19H29ClN2O/c1-5-17(20)7-6-10-19(23)11-13-22(14-12-19)16(4)8-9-18(21)15(2)3/h5,7-9,23H,1-2,6,10-14,21H2,3-4H3/b16-8+,17-7+,18-9+
InChIKeyZPTSEYOXUTUGJS-SNHNKHJOSA-N
XLogP4.22
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol?
The IUPAC name of 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol (CID 89256483) is 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol?
The canonical SMILES for 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol is C=C/C(Cl)=C\CCC1(O)CCN(/C(C)=C/C=C(/N)C(=C)C)CC1.
What is the InChIKey of 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol?
The InChIKey is ZPTSEYOXUTUGJS-SNHNKHJOSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-5-17(20)7-6-10-19(23)11-13-22(14-12-19)16(4)8-9-18(21)15(2)3/h5,7-9,23H,1-2,6,10-14,21H2,3-4H3/b16-8+,17-7+,18-9+.
What are the key properties of 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol?
1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol has a molecular weight of 336.91 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-5-amino-6-methylhepta-2,4,6-trien-2-yl]-4-[(3E)-4-chlorohexa-3,5-dienyl]piperidin-4-ol is sourced from PubChem (CID 89256483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).