1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine

C32H54FN — CID 166651505

IUPAC1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine
SMILESC=C(C)C(C(=C)C)=C(C)C(C/C(=C/C=C(/CCCN1CCCCC1)C(C)C)C(C)F)C(C)(C)C
InChIInChI=1S/C32H54FN/c1-23(2)28(16-15-21-34-19-13-12-14-20-34)17-18-29(27(8)33)22-30(32(9,10)11)26(7)31(24(3)4)25(5)6/h17-18,23,27,30H,3,5,12-16,19-22H2,1-2,4,6-11H3/b28-17-,29-18-
InChIKeyWKYRIEBILNYICJ-SZVCAHDZSA-N
MW471.79 g/mol
LogP9.64
Rot. Bonds12

About 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine

1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine (PubChem CID 166651505) has the molecular formula C32H54FN and a molecular weight of 471.79 g/mol. Its IUPAC name is 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine.

Molecular Properties

Compound Name1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine
PubChem CID166651505
Molecular FormulaC32H54FN
Molecular Weight471.79 g/mol
Exact Mass471.42
IUPAC Name1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine
SMILESC=C(C)C(C(=C)C)=C(C)C(C/C(=C/C=C(/CCCN1CCCCC1)C(C)C)C(C)F)C(C)(C)C
InChIInChI=1S/C32H54FN/c1-23(2)28(16-15-21-34-19-13-12-14-20-34)17-18-29(27(8)33)22-30(32(9,10)11)26(7)31(24(3)4)25(5)6/h17-18,23,27,30H,3,5,12-16,19-22H2,1-2,4,6-11H3/b28-17-,29-18-
InChIKeyWKYRIEBILNYICJ-SZVCAHDZSA-N
XLogP9.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.79
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine 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-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine?
The IUPAC name of 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine (CID 166651505) is 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine.
What is the SMILES notation for 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine?
The canonical SMILES for 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine is C=C(C)C(C(=C)C)=C(C)C(C/C(=C/C=C(/CCCN1CCCCC1)C(C)C)C(C)F)C(C)(C)C.
What is the InChIKey of 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine?
The InChIKey is WKYRIEBILNYICJ-SZVCAHDZSA-N. The full InChI is InChI=1S/C32H54FN/c1-23(2)28(16-15-21-34-19-13-12-14-20-34)17-18-29(27(8)33)22-30(32(9,10)11)26(7)31(24(3)4)25(5)6/h17-18,23,27,30H,3,5,12-16,19-22H2,1-2,4,6-11H3/b28-17-,29-18-.
What are the key properties of 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine?
1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine has a molecular weight of 471.79 g/mol, XLogP of 9.64, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6Z)-9-tert-butyl-7-(1-fluoroethyl)-10,12-dimethyl-4-propan-2-yl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine is sourced from PubChem (CID 166651505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).