4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)

C22H36F6N2O4 — CID 171321153

IUPAC4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN1CCC(N2CCC(C3CCCCC3)C2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H34N2.2C2HF3O2/c1-2-11-19-12-9-18(10-13-19)20-14-8-17(15-20)16-6-4-3-5-7-16;2*3-2(4,5)1(6)7/h16-18H,2-15H2,1H3;2*(H,6,7)
InChIKeyVEEFHYYQJSJXIN-UHFFFAOYSA-N
MW506.53 g/mol
LogP5.03
Rot. Bonds4

About 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)

4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171321153) has the molecular formula C22H36F6N2O4 and a molecular weight of 506.53 g/mol. Its IUPAC name is 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171321153
Molecular FormulaC22H36F6N2O4
Molecular Weight506.53 g/mol
Exact Mass506.26
IUPAC Name4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN1CCC(N2CCC(C3CCCCC3)C2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H34N2.2C2HF3O2/c1-2-11-19-12-9-18(10-13-19)20-14-8-17(15-20)16-6-4-3-5-7-16;2*3-2(4,5)1(6)7/h16-18H,2-15H2,1H3;2*(H,6,7)
InChIKeyVEEFHYYQJSJXIN-UHFFFAOYSA-N
XLogP5.03
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid) 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 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid) (CID 171321153) is 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid) is CCCN1CCC(N2CCC(C3CCCCC3)C2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VEEFHYYQJSJXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2.2C2HF3O2/c1-2-11-19-12-9-18(10-13-19)20-14-8-17(15-20)16-6-4-3-5-7-16;2*3-2(4,5)1(6)7/h16-18H,2-15H2,1H3;2*(H,6,7).
What are the key properties of 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid)?
4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 506.53 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpyrrolidin-1-yl)-1-propylpiperidine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171321153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).