(2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine

C24H30F3N — CID 89128670

IUPAC(2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
SMILESC=C(C)C#C[C@@H](C1CC=CCC1)N1CCCC[C@@H]1C1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C24H30F3N/c1-18(2)11-16-23(19-8-4-3-5-9-19)28-17-7-6-10-22(28)20-12-14-21(15-13-20)24(25,26)27/h3-4,12,14-15,19-20,22-23H,1,5-10,13,17H2,2H3/t19?,20?,22-,23+/m1/s1
InChIKeyZTBSTLANTZGKNK-PHFCHIBXSA-N
MW389.51 g/mol
LogP6.21
Rot. Bonds3

About (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine

(2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine (PubChem CID 89128670) has the molecular formula C24H30F3N and a molecular weight of 389.51 g/mol. Its IUPAC name is (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine.

Molecular Properties

Compound Name(2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
PubChem CID89128670
Molecular FormulaC24H30F3N
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name(2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
SMILESC=C(C)C#C[C@@H](C1CC=CCC1)N1CCCC[C@@H]1C1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C24H30F3N/c1-18(2)11-16-23(19-8-4-3-5-9-19)28-17-7-6-10-22(28)20-12-14-21(15-13-20)24(25,26)27/h3-4,12,14-15,19-20,22-23H,1,5-10,13,17H2,2H3/t19?,20?,22-,23+/m1/s1
InChIKeyZTBSTLANTZGKNK-PHFCHIBXSA-N
XLogP6.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]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 (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The IUPAC name of (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine (CID 89128670) is (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine.
What is the SMILES notation for (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The canonical SMILES for (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine is C=C(C)C#C[C@@H](C1CC=CCC1)N1CCCC[C@@H]1C1C=CC(C(F)(F)F)=CC1.
What is the InChIKey of (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The InChIKey is ZTBSTLANTZGKNK-PHFCHIBXSA-N. The full InChI is InChI=1S/C24H30F3N/c1-18(2)11-16-23(19-8-4-3-5-9-19)28-17-7-6-10-22(28)20-12-14-21(15-13-20)24(25,26)27/h3-4,12,14-15,19-20,22-23H,1,5-10,13,17H2,2H3/t19?,20?,22-,23+/m1/s1.
What are the key properties of (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
(2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine has a molecular weight of 389.51 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine is sourced from PubChem (CID 89128670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).