1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine

C18H27F3N2 — CID 166834486

IUPAC1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine
SMILESC=C/C(=C(\C=C/C)C(F)(F)F)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C18H27F3N2/c1-3-8-16(18(19,20)21)17(4-2)23-12-9-15(14-23)13-22-10-6-5-7-11-22/h3-4,8,15H,2,5-7,9-14H2,1H3/b8-3-,17-16-
InChIKeyNFPHPVGZGWEMFM-RHMAYXBSSA-N
MW328.42 g/mol
LogP4.37
Rot. Bonds5

About 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine

1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine (PubChem CID 166834486) has the molecular formula C18H27F3N2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine
PubChem CID166834486
Molecular FormulaC18H27F3N2
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC Name1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine
SMILESC=C/C(=C(\C=C/C)C(F)(F)F)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C18H27F3N2/c1-3-8-16(18(19,20)21)17(4-2)23-12-9-15(14-23)13-22-10-6-5-7-11-22/h3-4,8,15H,2,5-7,9-14H2,1H3/b8-3-,17-16-
InChIKeyNFPHPVGZGWEMFM-RHMAYXBSSA-N
XLogP4.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine (CID 166834486) is 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine is C=C/C(=C(\C=C/C)C(F)(F)F)N1CCC(CN2CCCCC2)C1.
What is the InChIKey of 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine?
The InChIKey is NFPHPVGZGWEMFM-RHMAYXBSSA-N. The full InChI is InChI=1S/C18H27F3N2/c1-3-8-16(18(19,20)21)17(4-2)23-12-9-15(14-23)13-22-10-6-5-7-11-22/h3-4,8,15H,2,5-7,9-14H2,1H3/b8-3-,17-16-.
What are the key properties of 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine?
1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine has a molecular weight of 328.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3Z,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 166834486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).